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CAS RN: 371924-24-2
ethyl 4-((4-(diethylamino)phenyl)imino)-6-methyl-1,4-dihydroquinoline-3-carboxylate
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10 package records10 with current stock2 grade groups
- Product code: starshine_CAS371924-24-2
- Purity/Analytical Methods: >99.0%
371924-24-2 / ethyl 4-[4-(diethylamino)anilino]-6-methylquinoline-3-carboxylate
Basic Information
CAS
371924-24-2
Multi CAS
No
Molecular Formula
C23H27N3O2
Molecular Weight
377.500000
Exact Mass
377.210327
InChI
InChI=1S/C23H27N3O2/c1-5-26(6-2)18-11-9-17(10-12-18)25-22-19-14-16(4)8-13-21(19)24-15-20(22)23(27)28-7-3/h8-15H,5-7H2,1-4H3,(H,24,25)
InChIKey
RIWXBJCWHVMATR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
115.72
TPSA
54.46
LogP / Solubility
WLOGP
5.31
MLOGP
4.69
XLogP3
5.7
Consensus LogP
5.23
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.36
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 371942-69-7 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3′,2′:4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/371942-69-7(2).gif)
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