N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide

C23H19ClN4O — CID 20910578

IUPACN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)Cc3cccnc3)cc12
InChIInChI=1S/C23H19ClN4O/c1-15-10-22(26-18-6-2-5-17(24)12-18)28-21-8-7-19(13-20(15)21)27-23(29)11-16-4-3-9-25-14-16/h2-10,12-14H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyHWSBRPIIIRNGLO-UHFFFAOYSA-N
MW402.89 g/mol
LogP5.52
Rot. Bonds5

About N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide

N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide (PubChem CID 20910578) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide
PubChem CID20910578
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC NameN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)Cc3cccnc3)cc12
InChIInChI=1S/C23H19ClN4O/c1-15-10-22(26-18-6-2-5-17(24)12-18)28-21-8-7-19(13-20(15)21)27-23(29)11-16-4-3-9-25-14-16/h2-10,12-14H,11H2,1H3,(H,26,28)(H,27,29)
InChIKeyHWSBRPIIIRNGLO-UHFFFAOYSA-N
XLogP5.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.89
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
CID 20910572
2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide
CID 46276178
5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide
CID 20910563
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide
CID 20910579
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113018532
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
2-pyridin-3-yl-N-(2,4,6-trimethylphenyl)acetamide
CID 110697139

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide (CID 20910578) is N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide is Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)Cc3cccnc3)cc12.
What is the InChIKey of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide?
The InChIKey is HWSBRPIIIRNGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-15-10-22(26-18-6-2-5-17(24)12-18)28-21-8-7-19(13-20(15)21)27-23(29)11-16-4-3-9-25-14-16/h2-10,12-14H,11H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide?
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide has a molecular weight of 402.89 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 20910578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).