N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide

C17H13N3O3 — CID 8840546

IUPACN-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13N3O3/c18-16(22)10-5-7-11(8-6-10)19-17(23)13-9-15(21)20-14-4-2-1-3-12(13)14/h1-9H,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyDQUZMRSLTLEEOD-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.88
Rot. Bonds3

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

N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 8840546) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID8840546
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13N3O3/c18-16(22)10-5-7-11(8-6-10)19-17(23)13-9-15(21)20-14-4-2-1-3-12(13)14/h1-9H,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyDQUZMRSLTLEEOD-UHFFFAOYSA-N
XLogP1.88
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
CID 17391109
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901295
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 18290394
methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
CID 94650278
[2-(4-nitrophenyl)-2-oxoethyl] 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 1128714
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 32943769
[2-(3-nitrophenyl)-2-oxoethyl] 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]benzoate
CID 3666143
[2-(4-acetamidophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 8789495
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761895

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide (CID 8840546) is N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide is NC(=O)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is DQUZMRSLTLEEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-16(22)10-5-7-11(8-6-10)19-17(23)13-9-15(21)20-14-4-2-1-3-12(13)14/h1-9H,(H2,18,22)(H,19,23)(H,20,21).
What are the key properties of N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide?
N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 8840546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).