N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide

C14H17N3O2 — CID 126449547

IUPACN-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C1C[C@H](NC(=O)N2CCCC2)c2ccccc2N1
InChIInChI=1S/C14H17N3O2/c18-13-9-12(10-5-1-2-6-11(10)15-13)16-14(19)17-7-3-4-8-17/h1-2,5-6,12H,3-4,7-9H2,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyMDLBDJQXRFHBKB-LBPRGKRZSA-N
MW259.31 g/mol
LogP1.88
Rot. Bonds1

About N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide

N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide (PubChem CID 126449547) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
PubChem CID126449547
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide
SMILESO=C1C[C@H](NC(=O)N2CCCC2)c2ccccc2N1
InChIInChI=1S/C14H17N3O2/c18-13-9-12(10-5-1-2-6-11(10)15-13)16-14(19)17-7-3-4-8-17/h1-2,5-6,12H,3-4,7-9H2,(H,15,18)(H,16,19)/t12-/m0/s1
InChIKeyMDLBDJQXRFHBKB-LBPRGKRZSA-N
XLogP1.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide (CID 126449547) is N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide is O=C1C[C@H](NC(=O)N2CCCC2)c2ccccc2N1.
What is the InChIKey of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is MDLBDJQXRFHBKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-9-12(10-5-1-2-6-11(10)15-13)16-14(19)17-7-3-4-8-17/h1-2,5-6,12H,3-4,7-9H2,(H,15,18)(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide?
N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126449547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).