2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide

C24H21N5O3 — CID 142535895

IUPAC2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccc(OC)nc1)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H21N5O3/c1-25-24(31)15-3-8-20-19(12-15)28-23(16-5-10-22(32-2)26-13-16)29(20)17-6-7-18-14(11-17)4-9-21(30)27-18/h3,5-8,10-13H,4,9H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyXLSKJIMUFHKATH-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.34
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide

2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide (PubChem CID 142535895) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
PubChem CID142535895
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)nc(-c1ccc(OC)nc1)n2-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C24H21N5O3/c1-25-24(31)15-3-8-20-19(12-15)28-23(16-5-10-22(32-2)26-13-16)29(20)17-6-7-18-14(11-17)4-9-21(30)27-18/h3,5-8,10-13H,4,9H2,1-2H3,(H,25,31)(H,27,30)
InChIKeyXLSKJIMUFHKATH-UHFFFAOYSA-N
XLogP3.34
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide with MolForge

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Related Compounds

[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
N-Cycloheptyl-1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 4287729
4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquinazoline-8-carboxamide
CID 51003485
N-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 16371646
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
1-(Cyclopropylmethyl)-2-[(6-ethoxy-3-pyridinyl)methyl]-N,N-diethyl-1H-benzimidazole-5-carboxamide
CID 10294778
N,N-diisopentyl-2-(4-methoxyphenyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 11398483
2-(4-ethoxybenzyl)-N,N-diethyl-1-(pyridin-2-ylmethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 22181322
2-(4-Ethoxybenzyl)-N,N-diethyl-1-(4-pyridinylmethyl)-1H-benzimidazole-5-carboxamide
CID 22181344
1-[(2-methoxyphenyl)methyl]-N-[(1R)-1-phenylpropyl]-1H-1,3-benzodiazole-5-carboxamide
CID 44132012
N,N-diisopentyl-2-(4-methoxyphenylamino)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432930
2-[(4-methoxyphenyl)methyl]-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 44432965

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide (CID 142535895) is 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide is CNC(=O)c1ccc2c(c1)nc(-c1ccc(OC)nc1)n2-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
The InChIKey is XLSKJIMUFHKATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-25-24(31)15-3-8-20-19(12-15)28-23(16-5-10-22(32-2)26-13-16)29(20)17-6-7-18-14(11-17)4-9-21(30)27-18/h3,5-8,10-13H,4,9H2,1-2H3,(H,25,31)(H,27,30).
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide?
2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-methyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 142535895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).