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CAS 101192-30-7 ETHYL BENZO[6,7]-4-OXO-4H-QUINOLIZINE-3-CARBOXLATE molecular structure lightbox
CAS RN: 101192-30-7

ETHYL BENZO[6,7]-4-OXO-4H-QUINOLIZINE-3-CARBOXLATE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 10mg / 50mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS101192-30-7
  • Purity/Analytical Methods: >99.0%
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101192-30-7 / ethyl 1-oxobenzo[c]quinolizine-2-carboxylate

Ethyl Benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate | ethyl 1-oxobenzo[c]quinolizine-2-carboxylate | ETHYL 1-OXO-1H-PYRIDO[1,2-A]QUINOLINE-2-CARBOXYLATE

Standard CAS: 101192-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101192-30-7
Multi CAS
No
Molecular Formula
C16H13NO3
Molecular Weight
267.280000
Exact Mass
267.089543
SMILES
CCOC(=O)C1=CC=C2C=CC3=CC=CC=C3N2C1=O
InChI
InChI=1S/C16H13NO3/c1-2-20-16(19)13-10-9-12-8-7-11-5-3-4-6-14(11)17(12)15(13)18/h3-10H,2H2,1H3
InChIKey
YISZIUALHMRHMU-UHFFFAOYSA-N
Synonyms
Ethyl Benzo[6,7]-4-oxo-4H-quinolizine-3-carboxlate ethyl 1-oxobenzo[c]quinolizine-2-carboxylate ETHYL 1-OXO-1H-PYRIDO[1,2-A]QUINOLINE-2-CARBOXYLATE 1H-Benzo[c]quinolizine-2-carboxylic acid, 1-oxo-, ethyl ester orb2566296

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
77.13
TPSA
47.78

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.9
Consensus LogP
2.62
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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