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

C21H20N4O2 — CID 17467965

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C21H20N4O2/c22-20(26)15-8-10-19(25-11-3-4-12-25)18(13-15)24-21(27)17-9-7-14-5-1-2-6-16(14)23-17/h1-2,5-10,13H,3-4,11-12H2,(H2,22,26)(H,24,27)
InChIKeyMGGXXYUJNRJSPW-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.19
Rot. Bonds4

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

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide (PubChem CID 17467965) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
PubChem CID17467965
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3ccccc3n2)c1
InChIInChI=1S/C21H20N4O2/c22-20(26)15-8-10-19(25-11-3-4-12-25)18(13-15)24-21(27)17-9-7-14-5-1-2-6-16(14)23-17/h1-2,5-10,13H,3-4,11-12H2,(H2,22,26)(H,24,27)
InChIKeyMGGXXYUJNRJSPW-UHFFFAOYSA-N
XLogP3.19
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 167978877
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 25384816
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375
methyl 3-[(6-methylpyridine-2-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 47021822
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269601
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
CID 88852610

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide (CID 17467965) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc3ccccc3n2)c1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide?
The InChIKey is MGGXXYUJNRJSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c22-20(26)15-8-10-19(25-11-3-4-12-25)18(13-15)24-21(27)17-9-7-14-5-1-2-6-16(14)23-17/h1-2,5-10,13H,3-4,11-12H2,(H2,22,26)(H,24,27).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 17467965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).