N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide

C24H17ClN4O2 — CID 73212074

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C24H17ClN4O2/c25-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)22(24(31)29-17)23(30)26-13-20-27-18-8-4-5-9-19(18)28-20/h1-12H,13H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyAAZAIGWOFRALDS-UHFFFAOYSA-N
MW428.88 g/mol
LogP4.65
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide (PubChem CID 73212074) has the molecular formula C24H17ClN4O2 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide
PubChem CID73212074
Molecular FormulaC24H17ClN4O2
Molecular Weight428.88 g/mol
Exact Mass428.10
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C24H17ClN4O2/c25-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)22(24(31)29-17)23(30)26-13-20-27-18-8-4-5-9-19(18)28-20/h1-12H,13H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyAAZAIGWOFRALDS-UHFFFAOYSA-N
XLogP4.65
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1H-benzimidazol-2-yl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one
CID 3259138
6-chloro-3-[3-(2-chloroquinolin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 3272201
6-chloro-3-[3-(1-ethylbenzimidazol-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 140843185
6-chloro-4-phenyl-3-(3-pyridin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 3131553
N-(1H-benzimidazol-2-ylmethyl)-4-chloro-2-nitrobenzamide
CID 18105058
6-chloro-3-[3-(1-methylbenzimidazol-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 140843156
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893
6-chloro-3-[(E)-3-(5-chloro-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247975
6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one
CID 134257279
6-chloro-3-[3-(2-chlorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 2879879
6-chloro-3-[(E)-3-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
CID 134247947
6-chloro-4-phenyl-3-(3-pyrazin-2-ylprop-2-enoyl)-1H-quinolin-2-one
CID 140843187

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide (CID 73212074) is N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide?
The InChIKey is AAZAIGWOFRALDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2/c25-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)22(24(31)29-17)23(30)26-13-20-27-18-8-4-5-9-19(18)28-20/h1-12H,13H2,(H,26,30)(H,27,28)(H,29,31).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 4.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 73212074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).