N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C18H16N4O2 — CID 18105228

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc2N1
InChIInChI=1S/C18H16N4O2/c23-17-8-6-11-9-12(5-7-13(11)22-17)18(24)19-10-16-20-14-3-1-2-4-15(14)21-16/h1-5,7,9H,6,8,10H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyMAENULQVKOFGJI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.38
Rot. Bonds3

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

N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18105228) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18105228
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc2N1
InChIInChI=1S/C18H16N4O2/c23-17-8-6-11-9-12(5-7-13(11)22-17)18(24)19-10-16-20-14-3-1-2-4-15(14)21-16/h1-5,7,9H,6,8,10H2,(H,19,24)(H,20,21)(H,22,23)
InChIKeyMAENULQVKOFGJI-UHFFFAOYSA-N
XLogP2.38
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-benzimidazol-2-ylmethyl)-N-hydroxy-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-7-carboxamide
CID 122437849
2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18107678
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 21008765
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-benzimidazole-2-carboxamide
CID 140978353
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 30248954
N-[(3-chlorophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911732
N-(1H-benzimidazol-2-ylmethyl)-6-(cyclopropylamino)pyridine-3-carboxamide
CID 71937473

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18105228) is N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NCc3nc4ccccc4[nH]3)ccc2N1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is MAENULQVKOFGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17-8-6-11-9-12(5-7-13(11)22-17)18(24)19-10-16-20-14-3-1-2-4-15(14)21-16/h1-5,7,9H,6,8,10H2,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.38, 3 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)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18105228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).