7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide

C23H19ClN4O — CID 1261502

IUPAC7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)N[C@@H](C)c3ccncc3)cc(-c3ccncc3)nc12
InChIInChI=1S/C23H19ClN4O/c1-14-20(24)4-3-18-19(23(29)27-15(2)16-5-9-25-10-6-16)13-21(28-22(14)18)17-7-11-26-12-8-17/h3-13,15H,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyZUOOGNBGSYYHLJ-HNNXBMFYSA-N
MW402.89 g/mol
LogP5.14
Rot. Bonds4

About 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide

7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide (PubChem CID 1261502) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
PubChem CID1261502
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
SMILESCc1c(Cl)ccc2c(C(=O)N[C@@H](C)c3ccncc3)cc(-c3ccncc3)nc12
InChIInChI=1S/C23H19ClN4O/c1-14-20(24)4-3-18-19(23(29)27-15(2)16-5-9-25-10-6-16)13-21(28-22(14)18)17-7-11-26-12-8-17/h3-13,15H,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyZUOOGNBGSYYHLJ-HNNXBMFYSA-N
XLogP5.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

7-chloro-N-(3,4-dichlorophenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 17368895
N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965475
2-chloro-N-(1-pyridin-4-ylethyl)-5-sulfanylbenzamide
CID 107022770
7-chloro-8-methyl-N-phenyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2220481
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220449
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
2-chloro-4,5-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 2970246
2-[(7-chloro-8-methyl-2-phenylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
CID 2220589
[1-(4-methylphenyl)-1-oxopropan-2-yl] 7-chloro-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 3848079
2-(2-aminopyrimidin-5-yl)-7,8-dimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-4-carboxamide
CID 46986988
2-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512406

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
The IUPAC name of 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide (CID 1261502) is 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
The canonical SMILES for 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide is Cc1c(Cl)ccc2c(C(=O)N[C@@H](C)c3ccncc3)cc(-c3ccncc3)nc12.
What is the InChIKey of 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
The InChIKey is ZUOOGNBGSYYHLJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-14-20(24)4-3-18-19(23(29)27-15(2)16-5-9-25-10-6-16)13-21(28-22(14)18)17-7-11-26-12-8-17/h3-13,15H,1-2H3,(H,27,29)/t15-/m0/s1.
What are the key properties of 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide has a molecular weight of 402.89 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2-pyridin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 1261502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).