3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid

C20H28N4O3 — CID 170439553

IUPAC3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NC(=O)N2CCN(C3CCCCC3)c3ccccc32)C1
InChIInChI=1S/C20H28N4O3/c25-19(21-15-10-11-22(14-15)20(26)27)24-13-12-23(16-6-2-1-3-7-16)17-8-4-5-9-18(17)24/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,25)(H,26,27)
InChIKeyATNKQFJUTFRSDE-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.11
Rot. Bonds2

About 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid

3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 170439553) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID170439553
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NC(=O)N2CCN(C3CCCCC3)c3ccccc32)C1
InChIInChI=1S/C20H28N4O3/c25-19(21-15-10-11-22(14-15)20(26)27)24-13-12-23(16-6-2-1-3-7-16)17-8-4-5-9-18(17)24/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,25)(H,26,27)
InChIKeyATNKQFJUTFRSDE-UHFFFAOYSA-N
XLogP3.11
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-tert-butyl-3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 170439603
(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
CID 170439418
3-(3,4-dihydro-2H-quinolin-1-yl)pyrrolidine-1-carboxylic acid
CID 67493051
N-cycloheptyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221349
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736613
tert-butyl (3R)-3-[[4-(5-fluoro-2-pyridinyl)-2,3-dihydroquinoxaline-1-carbonyl]amino]pyrrolidine-1-carboxylate
CID 170612363
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2,3-dihydroindole-1-carboxamide
CID 14809231
N-(1-phenylpiperidin-4-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 59710019
3-benzyl-N-cyclobutyl-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,4]benzodiazepine-6-carboxamide
CID 54671152
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone
CID 170439456

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid (CID 170439553) is 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(NC(=O)N2CCN(C3CCCCC3)c3ccccc32)C1.
What is the InChIKey of 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is ATNKQFJUTFRSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(21-15-10-11-22(14-15)20(26)27)24-13-12-23(16-6-2-1-3-7-16)17-8-4-5-9-18(17)24/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,25)(H,26,27).
What are the key properties of 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid?
3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 372.47 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclohexyl-2,3-dihydroquinoxaline-1-carbonyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 170439553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).