5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide

C19H18N4O2 — CID 47051499

IUPAC5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H18N4O2/c24-18(22-17-8-7-13-5-1-2-6-15(13)21-17)14-11-16(20-12-14)19(25)23-9-3-4-10-23/h1-2,5-8,11-12,20H,3-4,9-10H2,(H,21,22,24)
InChIKeyPCHAJTRSDGCZAI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.05
Rot. Bonds3

About 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide

5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 47051499) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide
PubChem CID47051499
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc2ccccc2n1)c1c[nH]c(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H18N4O2/c24-18(22-17-8-7-13-5-1-2-6-15(13)21-17)14-11-16(20-12-14)19(25)23-9-3-4-10-23/h1-2,5-8,11-12,20H,3-4,9-10H2,(H,21,22,24)
InChIKeyPCHAJTRSDGCZAI-UHFFFAOYSA-N
XLogP3.05
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-2-yl-1H-indole-5-carboxamide
CID 134151071
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
N-[3-(quinolin-2-ylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 91266740
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 40739487
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 55643662
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 138999584
9-(2,6-dichlorophenyl)-7-methyl-N-quinolin-2-yl-1H-azonine-4-carboxamide
CID 143659609
benzhydryl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]azanium
CID 9445986
[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 2-bromobenzoate
CID 40755229
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
2-(4-phenylpiperazin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 9250313

Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide (CID 47051499) is 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide is O=C(Nc1ccc2ccccc2n1)c1c[nH]c(C(=O)N2CCCC2)c1.
What is the InChIKey of 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is PCHAJTRSDGCZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(22-17-8-7-13-5-1-2-6-15(13)21-17)14-11-16(20-12-14)19(25)23-9-3-4-10-23/h1-2,5-8,11-12,20H,3-4,9-10H2,(H,21,22,24).
What are the key properties of 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide?
5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidine-1-carbonyl)-N-quinolin-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 47051499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).