2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide

C18H18N4O — CID 48791386

IUPAC2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H18N4O/c23-18(22-12-4-9-16(22)14-8-3-10-19-14)21-15-7-1-5-13-6-2-11-20-17(13)15/h1-3,5-8,10-11,16,19H,4,9,12H2,(H,21,23)
InChIKeyNVDJFTLQFUKSAB-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.93
Rot. Bonds2

About 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide

2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide (PubChem CID 48791386) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide
PubChem CID48791386
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cccnc12)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C18H18N4O/c23-18(22-12-4-9-16(22)14-8-3-10-19-14)21-15-7-1-5-13-6-2-11-20-17(13)15/h1-3,5-8,10-11,16,19H,4,9,12H2,(H,21,23)
InChIKeyNVDJFTLQFUKSAB-UHFFFAOYSA-N
XLogP3.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
(2R)-N-(pyridin-2-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95596170
2-(1H-imidazol-2-yl)-N-(2-methylquinolin-8-yl)piperidine-1-carboxamide
CID 71972132
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(6-methylquinolin-8-yl)pyrrolidine-1-carboxamide
CID 97333945
(2R)-N-(pyridin-4-ylmethyl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95604428
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
tert-butyl (2S)-2-(quinolin-8-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 69444585
2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]-2-oxo-N-quinolin-8-ylacetamide
CID 95354467
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
N-(2-oxochromen-6-yl)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 48791498
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide (CID 48791386) is 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc2cccnc12)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
The InChIKey is NVDJFTLQFUKSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(22-12-4-9-16(22)14-8-3-10-19-14)21-15-7-1-5-13-6-2-11-20-17(13)15/h1-3,5-8,10-11,16,19H,4,9,12H2,(H,21,23).
What are the key properties of 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide?
2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-N-quinolin-8-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 48791386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).