N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide

C25H19ClN4O — CID 20910579

IUPACN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc12
InChIInChI=1S/C25H19ClN4O/c1-15-11-24(27-18-7-4-6-17(26)13-18)30-22-10-9-19(14-20(15)22)28-25(31)23-12-16-5-2-3-8-21(16)29-23/h2-14,29H,1H3,(H,27,30)(H,28,31)
InChIKeyHAHIBRKCNSMNGF-UHFFFAOYSA-N
MW426.91 g/mol
LogP6.67
Rot. Bonds4

About N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide

N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide (PubChem CID 20910579) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide
PubChem CID20910579
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC NameN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc12
InChIInChI=1S/C25H19ClN4O/c1-15-11-24(27-18-7-4-6-17(26)13-18)30-22-10-9-19(14-20(15)22)28-25(31)23-12-16-5-2-3-8-21(16)29-23/h2-14,29H,1H3,(H,27,30)(H,28,31)
InChIKeyHAHIBRKCNSMNGF-UHFFFAOYSA-N
XLogP6.67
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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]-2-pyridin-3-ylacetamide
CID 20910578
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
CID 20910572
N-(2-phenyl-3H-benzimidazol-5-yl)-1H-indole-2-carboxamide
CID 67686453
N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
CID 134153428
2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
CID 46276156
6-(3-chloroanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849930
4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
CID 46276168
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-indole-2-carboxamide
CID 26312296
2-hydroxy-5-(1H-indole-2-carbonylamino)benzoic acid
CID 43823296
N-(3-chlorophenyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24948900

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide (CID 20910579) is N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide is Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cc4ccccc4[nH]3)cc12.
What is the InChIKey of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide?
The InChIKey is HAHIBRKCNSMNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c1-15-11-24(27-18-7-4-6-17(26)13-18)30-22-10-9-19(14-20(15)22)28-25(31)23-12-16-5-2-3-8-21(16)29-23/h2-14,29H,1H3,(H,27,30)(H,28,31).
What are the key properties of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide?
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide has a molecular weight of 426.91 g/mol, XLogP of 6.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 20910579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).