1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide

C19H16N4O2 — CID 110765475

IUPAC1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)Nc3cccc4cccnc34)ccc21
InChIInChI=1S/C19H16N4O2/c1-22-15-9-8-13(11-16(15)23(2)19(22)25)18(24)21-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,24)
InChIKeyUWMQITOJHSENKH-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.68
Rot. Bonds2

About 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide

1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide (PubChem CID 110765475) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
PubChem CID110765475
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide
SMILESCn1c(=O)n(C)c2cc(C(=O)Nc3cccc4cccnc34)ccc21
InChIInChI=1S/C19H16N4O2/c1-22-15-9-8-13(11-16(15)23(2)19(22)25)18(24)21-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,24)
InChIKeyUWMQITOJHSENKH-UHFFFAOYSA-N
XLogP2.68
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-quinolin-8-yl-1H-indole-5-carboxamide
CID 110694998
4-(2-oxoimidazolidin-1-yl)-N-quinolin-8-ylbenzamide
CID 51299238
1-N-cyclopentyl-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109044532
4-bromo-3-hydroxy-N-quinolin-8-ylbenzamide
CID 103871242
6-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 66463068
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
4-(methylsulfanylmethyl)-N-quinolin-8-ylbenzamide
CID 31289054
4-(4-methylpiperazin-1-yl)-N-quinolin-8-yl-3-(trifluoromethyl)benzamide
CID 171512798
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
3,4,5-triethoxy-N-quinolin-8-ylbenzamide
CID 1018003
4-(acetamidomethyl)-N-quinolin-8-ylbenzamide
CID 18196066

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide (CID 110765475) is 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide is Cn1c(=O)n(C)c2cc(C(=O)Nc3cccc4cccnc34)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide?
The InChIKey is UWMQITOJHSENKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-22-15-9-8-13(11-16(15)23(2)19(22)25)18(24)21-14-7-3-5-12-6-4-10-20-17(12)14/h3-11H,1-2H3,(H,21,24).
What are the key properties of 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide?
1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N-quinolin-8-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110765475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).