3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one

C20H18ClN3O2 — CID 57329996

IUPAC3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]c1=O)N1CCC[C@@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c21-14-6-3-5-13(11-14)12-15-7-4-10-24(15)20(26)18-19(25)23-17-9-2-1-8-16(17)22-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,23,25)/t15-/m1/s1
InChIKeySWICEAXQVGODRY-OAHLLOKOSA-N
MW367.84 g/mol
LogP3.42
Rot. Bonds3

About 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one

3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (PubChem CID 57329996) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
PubChem CID57329996
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
SMILESO=C(c1nc2ccccc2[nH]c1=O)N1CCC[C@@H]1Cc1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O2/c21-14-6-3-5-13(11-14)12-15-7-4-10-24(15)20(26)18-19(25)23-17-9-2-1-8-16(17)22-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,23,25)/t15-/m1/s1
InChIKeySWICEAXQVGODRY-OAHLLOKOSA-N
XLogP3.42
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one 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 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one (CID 57329996) is 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is O=C(c1nc2ccccc2[nH]c1=O)N1CCC[C@@H]1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
The InChIKey is SWICEAXQVGODRY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-6-3-5-13(11-14)12-15-7-4-10-24(15)20(26)18-19(25)23-17-9-2-1-8-16(17)22-18/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,23,25)/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one?
3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one has a molecular weight of 367.84 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(3-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 57329996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).