1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide

C16H17N3O2 — CID 78798763

IUPAC1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H17N3O2/c1-11(20)19-10-4-8-15(19)16(21)18-14-7-2-6-13-12(14)5-3-9-17-13/h2-3,5-7,9,15H,4,8,10H2,1H3,(H,18,21)
InChIKeyVDZNDZGUWGIDNH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.18
Rot. Bonds2

About 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide

1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide (PubChem CID 78798763) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide
PubChem CID78798763
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C16H17N3O2/c1-11(20)19-10-4-8-15(19)16(21)18-14-7-2-6-13-12(14)5-3-9-17-13/h2-3,5-7,9,15H,4,8,10H2,1H3,(H,18,21)
InChIKeyVDZNDZGUWGIDNH-UHFFFAOYSA-N
XLogP2.18
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 78798447
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 119353114
2-amino-N-quinolin-5-ylcyclohexane-1-carboxamide
CID 64817918
N-quinolin-5-ylpiperidine-2-carboxamide
CID 18072312
(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
CID 41025456
2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
1-acetyl-N-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 78799115
[2-oxo-2-(quinolin-5-ylamino)ethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 29439862
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 42940173
1-[(3aR,8aR)-1-(quinolin-5-ylmethyl)-2,3,3a,5,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-4-yl]ethanone
CID 110136317

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide (CID 78798763) is 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide?
The InChIKey is VDZNDZGUWGIDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(20)19-10-4-8-15(19)16(21)18-14-7-2-6-13-12(14)5-3-9-17-13/h2-3,5-7,9,15H,4,8,10H2,1H3,(H,18,21).
What are the key properties of 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide?
1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 78798763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).