(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide

C20H28N4O3 — CID 52508029

IUPAC(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(CC(=O)N2CCNC2=O)c2ccccc21
InChIInChI=1S/C20H28N4O3/c1-4-13(2)22-19(26)16-11-14(3)24(17-8-6-5-7-15(16)17)12-18(25)23-10-9-21-20(23)27/h5-8,13-14,16H,4,9-12H2,1-3H3,(H,21,27)(H,22,26)/t13-,14-,16-/m0/s1
InChIKeyRKSAACQWHMFBME-DZKIICNBSA-N
MW372.47 g/mol
LogP1.84
Rot. Bonds5

About (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide

(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 52508029) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID52508029
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(CC(=O)N2CCNC2=O)c2ccccc21
InChIInChI=1S/C20H28N4O3/c1-4-13(2)22-19(26)16-11-14(3)24(17-8-6-5-7-15(16)17)12-18(25)23-10-9-21-20(23)27/h5-8,13-14,16H,4,9-12H2,1-3H3,(H,21,27)(H,22,26)/t13-,14-,16-/m0/s1
InChIKeyRKSAACQWHMFBME-DZKIICNBSA-N
XLogP1.84
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-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 (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide (CID 52508029) is (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide is CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(CC(=O)N2CCNC2=O)c2ccccc21.
What is the InChIKey of (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is RKSAACQWHMFBME-DZKIICNBSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-13(2)22-19(26)16-11-14(3)24(17-8-6-5-7-15(16)17)12-18(25)23-10-9-21-20(23)27/h5-8,13-14,16H,4,9-12H2,1-3H3,(H,21,27)(H,22,26)/t13-,14-,16-/m0/s1.
What are the key properties of (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 52508029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).