1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide

C20H20N4O3 — CID 55864837

IUPAC1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)Nc3ccccc3N3CCCC3=O)ccc21
InChIInChI=1S/C20H20N4O3/c1-23-12-18(25)21-15-11-13(8-9-16(15)23)20(27)22-14-5-2-3-6-17(14)24-10-4-7-19(24)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,25)(H,22,27)
InChIKeyBGANUSNMNSXPLE-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.45
Rot. Bonds3

About 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide

1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide (PubChem CID 55864837) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
PubChem CID55864837
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
SMILESCN1CC(=O)Nc2cc(C(=O)Nc3ccccc3N3CCCC3=O)ccc21
InChIInChI=1S/C20H20N4O3/c1-23-12-18(25)21-15-11-13(8-9-16(15)23)20(27)22-14-5-2-3-6-17(14)24-10-4-7-19(24)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,25)(H,22,27)
InChIKeyBGANUSNMNSXPLE-UHFFFAOYSA-N
XLogP2.45
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 26955394
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N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523
3-cyano-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18090514
3-hydroxy-4-nitro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 18204927
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-carboxamide
CID 39638037
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9442082
1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 122137446
2-methyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46616352
methyl 2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzoate
CID 18200069
4-oxo-N-(2-pyrrolidin-1-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 30583427
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide (CID 55864837) is 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide is CN1CC(=O)Nc2cc(C(=O)Nc3ccccc3N3CCCC3=O)ccc21.
What is the InChIKey of 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is BGANUSNMNSXPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-23-12-18(25)21-15-11-13(8-9-16(15)23)20(27)22-14-5-2-3-6-17(14)24-10-4-7-19(24)26/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,25)(H,22,27).
What are the key properties of 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide?
1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 55864837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).