9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

C19H17N3O3 — CID 59943651

IUPAC9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H17N3O3/c1-11-9-15-16(21-18(24)17(23)20-15)14-10-22(8-7-13(11)14)19(25)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyFOQCGZHATSNBDE-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.72
Rot. Bonds1

About 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (PubChem CID 59943651) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
PubChem CID59943651
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2c2c1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H17N3O3/c1-11-9-15-16(21-18(24)17(23)20-15)14-10-22(8-7-13(11)14)19(25)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,20,23)(H,21,24)
InChIKeyFOQCGZHATSNBDE-UHFFFAOYSA-N
XLogP1.72
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione with MolForge

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Related Compounds

3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
3-methyl-7-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-quinolin-2-one
CID 59474898
3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-1H-quinolin-2-one
CID 110363111
6-(4-methylbenzoyl)-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135482009
(6-chloro-7-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3-chlorophenyl)methanone
CID 159614505
3-[(4-benzoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110362990
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
1-benzoylimidazolidin-4-one
CID 121484248
(3-methylphenyl)-(7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089543
2-(3,4-dimethylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081838

Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The IUPAC name of 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (CID 59943651) is 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.
What is the SMILES notation for 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The canonical SMILES for 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is Cc1cc2[nH]c(=O)c(=O)[nH]c2c2c1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The InChIKey is FOQCGZHATSNBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-9-15-16(21-18(24)17(23)20-15)14-10-22(8-7-13(11)14)19(25)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione has a molecular weight of 335.36 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is sourced from PubChem (CID 59943651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).