N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide

C16H13N3O4 — CID 46249095

IUPACN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H13N3O4/c1-23-11-4-2-3-9(7-11)14(20)17-10-5-6-12-13(8-10)19-16(22)15(21)18-12/h2-8H,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyHQDSWBGDILKXOE-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.48
Rot. Bonds3

About N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide

N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide (PubChem CID 46249095) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
PubChem CID46249095
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC NameN-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1
InChIInChI=1S/C16H13N3O4/c1-23-11-4-2-3-9(7-11)14(20)17-10-5-6-12-13(8-10)19-16(22)15(21)18-12/h2-8H,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyHQDSWBGDILKXOE-UHFFFAOYSA-N
XLogP1.48
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39848932
N-(1H-indol-5-yl)-3-methoxybenzamide
CID 110730731
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 3-methoxybenzoate
CID 24658441
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylmethoxybenzamide
CID 17102550
N-(4-amino-3-bromophenyl)-3-methoxybenzamide
CID 82861399
4-[[3-[(3-methoxybenzoyl)amino]benzoyl]amino]benzoate
CID 4077385
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]-N-(4-methoxyphenyl)-3-oxo-4H-quinoxaline-6-carboxamide
CID 136727404

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide?
The IUPAC name of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide (CID 46249095) is N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide?
The canonical SMILES for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1.
What is the InChIKey of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide?
The InChIKey is HQDSWBGDILKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/c1-23-11-4-2-3-9(7-11)14(20)17-10-5-6-12-13(8-10)19-16(22)15(21)18-12/h2-8H,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide?
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide has a molecular weight of 311.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide is sourced from PubChem (CID 46249095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).