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

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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).