N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide

C20H18N4O2 — CID 95618514

IUPACN-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide
SMILESCN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H18N4O2/c1-23(18-11-12-24(20(18)26)14-7-3-2-4-8-14)19(25)17-13-21-15-9-5-6-10-16(15)22-17/h2-10,13,18H,11-12H2,1H3/t18-/m1/s1
InChIKeyASMARMWZNWXWLY-GOSISDBHSA-N
MW346.39 g/mol
LogP2.51
Rot. Bonds3

About N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide

N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide (PubChem CID 95618514) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide
PubChem CID95618514
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide
SMILESCN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H18N4O2/c1-23(18-11-12-24(20(18)26)14-7-3-2-4-8-14)19(25)17-13-21-15-9-5-6-10-16(15)22-17/h2-10,13,18H,11-12H2,1H3/t18-/m1/s1
InChIKeyASMARMWZNWXWLY-GOSISDBHSA-N
XLogP2.51
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide (CID 95618514) is N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide is CN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
The InChIKey is ASMARMWZNWXWLY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23(18-11-12-24(20(18)26)14-7-3-2-4-8-14)19(25)17-13-21-15-9-5-6-10-16(15)22-17/h2-10,13,18H,11-12H2,1H3/t18-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide?
N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 95618514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).