2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide

C20H20ClN3O3 — CID 50793038

IUPAC2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
SMILESCCn1c(=O)c(=O)n(CC)c2cc(NC(=O)c3ccccc3Cl)c(C)cc21
InChIInChI=1S/C20H20ClN3O3/c1-4-23-16-10-12(3)15(11-17(16)24(5-2)20(27)19(23)26)22-18(25)13-8-6-7-9-14(13)21/h6-11H,4-5H2,1-3H3,(H,22,25)
InChIKeyZGYCKQWJJXNRGK-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide

2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide (PubChem CID 50793038) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
PubChem CID50793038
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
SMILESCCn1c(=O)c(=O)n(CC)c2cc(NC(=O)c3ccccc3Cl)c(C)cc21
InChIInChI=1S/C20H20ClN3O3/c1-4-23-16-10-12(3)15(11-17(16)24(5-2)20(27)19(23)26)22-18(25)13-8-6-7-9-14(13)21/h6-11H,4-5H2,1-3H3,(H,22,25)
InChIKeyZGYCKQWJJXNRGK-UHFFFAOYSA-N
XLogP3.42
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
CID 15990188
4-[(2-chlorobenzoyl)amino]-N,3-dimethylbenzamide
CID 131930892
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792962
N-(4-amino-5-methoxy-2-methylphenyl)-2-chlorobenzamide
CID 70635725
N-(3-chloro-2-methylphenyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 26584443
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
2-chloro-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]benzamide
CID 17111155
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide (CID 50793038) is 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide is CCn1c(=O)c(=O)n(CC)c2cc(NC(=O)c3ccccc3Cl)c(C)cc21.
What is the InChIKey of 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide?
The InChIKey is ZGYCKQWJJXNRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-4-23-16-10-12(3)15(11-17(16)24(5-2)20(27)19(23)26)22-18(25)13-8-6-7-9-14(13)21/h6-11H,4-5H2,1-3H3,(H,22,25).
What are the key properties of 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide?
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide has a molecular weight of 385.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide is sourced from PubChem (CID 50793038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).