N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide

C19H16N4O2 — CID 110666044

IUPACN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cc2cc(CNC(=O)c3ccc4nc[nH]c4c3)ccc2[nH]c1=O
InChIInChI=1S/C19H16N4O2/c1-11-6-14-7-12(2-4-15(14)23-18(11)24)9-20-19(25)13-3-5-16-17(8-13)22-10-21-16/h2-8,10H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyQMVQDMDEDJDCLX-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.64
Rot. Bonds3

About N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110666044) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID110666044
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1cc2cc(CNC(=O)c3ccc4nc[nH]c4c3)ccc2[nH]c1=O
InChIInChI=1S/C19H16N4O2/c1-11-6-14-7-12(2-4-15(14)23-18(11)24)9-20-19(25)13-3-5-16-17(8-13)22-10-21-16/h2-8,10H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyQMVQDMDEDJDCLX-UHFFFAOYSA-N
XLogP2.64
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
3-methoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666080
4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666046
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
3,5-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666082
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(4-ethylsulfanylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794525
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 110666044) is N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide is Cc1cc2cc(CNC(=O)c3ccc4nc[nH]c4c3)ccc2[nH]c1=O.
What is the InChIKey of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is QMVQDMDEDJDCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-11-6-14-7-12(2-4-15(14)23-18(11)24)9-20-19(25)13-3-5-16-17(8-13)22-10-21-16/h2-8,10H,9H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110666044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).