N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide

C21H20N4O3 — CID 25384816

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C21H20N4O3/c22-19(26)14-7-8-18(25-9-3-4-10-25)17(12-14)24-21(28)15-11-13-5-1-2-6-16(13)23-20(15)27/h1-2,5-8,11-12H,3-4,9-10H2,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyHCPBZEXSBVSHGW-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.48
Rot. Bonds4

About N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 25384816) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID25384816
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3ccccc3[nH]c2=O)c1
InChIInChI=1S/C21H20N4O3/c22-19(26)14-7-8-18(25-9-3-4-10-25)17(12-14)24-21(28)15-11-13-5-1-2-6-16(13)23-20(15)27/h1-2,5-8,11-12H,3-4,9-10H2,(H2,22,26)(H,23,27)(H,24,28)
InChIKeyHCPBZEXSBVSHGW-UHFFFAOYSA-N
XLogP2.48
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375
3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 24614233
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 167978877
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 134048899
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
3-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675991
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide (CID 25384816) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cc3ccccc3[nH]c2=O)c1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is HCPBZEXSBVSHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c22-19(26)14-7-8-18(25-9-3-4-10-25)17(12-14)24-21(28)15-11-13-5-1-2-6-16(13)23-20(15)27/h1-2,5-8,11-12H,3-4,9-10H2,(H2,22,26)(H,23,27)(H,24,28).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 25384816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).