6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide

C24H20ClN3O2 — CID 7472546

IUPAC6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccncc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H20ClN3O2/c1-15(16-9-11-26-12-10-16)27-24(29)20-14-22(18-5-3-4-6-23(18)30-2)28-21-8-7-17(25)13-19(20)21/h3-15H,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyRZQHTSSLZHAVCV-HNNXBMFYSA-N
MW417.90 g/mol
LogP5.45
Rot. Bonds5

About 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide

6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide (PubChem CID 7472546) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
PubChem CID7472546
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccncc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H20ClN3O2/c1-15(16-9-11-26-12-10-16)27-24(29)20-14-22(18-5-3-4-6-23(18)30-2)28-21-8-7-17(25)13-19(20)21/h3-15H,1-2H3,(H,27,29)/t15-/m0/s1
InChIKeyRZQHTSSLZHAVCV-HNNXBMFYSA-N
XLogP5.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(2-methoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 2965510
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 7028903
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methoxy-4-pyridin-4-ylbenzamide
CID 68513343
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 159321115
2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
2-(4-chlorophenyl)-7-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93009006
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220682
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
The IUPAC name of 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide (CID 7472546) is 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccncc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
The InChIKey is RZQHTSSLZHAVCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c1-15(16-9-11-26-12-10-16)27-24(29)20-14-22(18-5-3-4-6-23(18)30-2)28-21-8-7-17(25)13-19(20)21/h3-15H,1-2H3,(H,27,29)/t15-/m0/s1.
What are the key properties of 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide?
6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 7472546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).