N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide

C17H12N4O2 — CID 17477575

IUPACN-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H12N4O2/c22-16-9-12(11-5-1-2-6-13(11)19-16)17(23)20-21-10-18-14-7-3-4-8-15(14)21/h1-10H,(H,19,22)(H,20,23)
InChIKeyBUIPECDNTRGYES-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.26
Rot. Bonds2

About N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide

N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 17477575) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID17477575
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H12N4O2/c22-16-9-12(11-5-1-2-6-13(11)19-16)17(23)20-21-10-18-14-7-3-4-8-15(14)21/h1-10H,(H,19,22)(H,20,23)
InChIKeyBUIPECDNTRGYES-UHFFFAOYSA-N
XLogP2.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide (CID 17477575) is N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide is O=C(Nn1cnc2ccccc21)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is BUIPECDNTRGYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-16-9-12(11-5-1-2-6-13(11)19-16)17(23)20-21-10-18-14-7-3-4-8-15(14)21/h1-10H,(H,19,22)(H,20,23).
What are the key properties of N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide?
N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 17477575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).