![CAS 1887014-14-3 5-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxo-pyridine-2-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1887014-14-3.gif)
CAS RN: 1887014-14-3
5-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxo-pyridine-2-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251226 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1887014-14-3
- Purity/Analytical Methods: >99.0%
1887014-14-3 / 5-[[(1R)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
Basic Information
CAS
1887014-14-3
Multi CAS
No
Molecular Formula
C18H15ClN4O2
Molecular Weight
354.800000
Exact Mass
354.088353
SMILES
C[C@H](C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N
InChI
InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m1/s1
InChIKey
NEQYWYXGTJDAKR-SNVBAGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
98.01
TPSA
90.68
LogP / Solubility
WLOGP
2.92
MLOGP
2.59
XLogP3
2.5
Consensus LogP
2.67
Log S (ESOL)
-4.16
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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