5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide

C17H21N3O3 — CID 86929823

IUPAC5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1=O
InChIInChI=1S/C17H21N3O3/c1-10(2)20-9-12(8-16(20)22)17(23)18-13-4-5-14-11(7-13)3-6-15(21)19-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeySHMXZPZXSLGVSC-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.77
Rot. Bonds3

About 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide

5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 86929823) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID86929823
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1CC(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1=O
InChIInChI=1S/C17H21N3O3/c1-10(2)20-9-12(8-16(20)22)17(23)18-13-4-5-14-11(7-13)3-6-15(21)19-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H,18,23)(H,19,21)
InChIKeySHMXZPZXSLGVSC-UHFFFAOYSA-N
XLogP1.77
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

5-oxo-1-propan-2-yl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2951809
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
2-bromo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 107903528
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 40977144
4-amino-2-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 80542372
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
1-benzyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidine-4-carboxamide
CID 70048298
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 7449924
N-(4-methylphenyl)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 122176006
5-oxo-1-propan-2-yl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 43429829

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide (CID 86929823) is 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1CC(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1=O.
What is the InChIKey of 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is SHMXZPZXSLGVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10(2)20-9-12(8-16(20)22)17(23)18-13-4-5-14-11(7-13)3-6-15(21)19-14/h4-5,7,10,12H,3,6,8-9H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide?
5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 86929823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).