2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

C21H23ClN4O3 — CID 50792040

IUPAC2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C21H23ClN4O3/c1-5-26(6-2)16-12-18-17(24(3)20(28)21(29)25(18)4)11-15(16)23-19(27)13-9-7-8-10-14(13)22/h7-12H,5-6H2,1-4H3,(H,23,27)
InChIKeyJZHCLBPCWGJSLZ-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.99
Rot. Bonds5

About 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide

2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (PubChem CID 50792040) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
PubChem CID50792040
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
SMILESCCN(CC)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C21H23ClN4O3/c1-5-26(6-2)16-12-18-17(24(3)20(28)21(29)25(18)4)11-15(16)23-19(27)13-9-7-8-10-14(13)22/h7-12H,5-6H2,1-4H3,(H,23,27)
InChIKeyJZHCLBPCWGJSLZ-UHFFFAOYSA-N
XLogP2.99
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide
CID 50792211
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]thiophene-2-carboxamide
CID 50792193
3-[(2-chlorobenzoyl)amino]-4-(diethylamino)benzoic acid
CID 53052827
N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
CID 46249057
2-chloro-N-[7-(4-ethoxyphenoxy)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792962
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 50793038
2-chloro-N-[1,3-dimethyl-6-(4-methylphenyl)sulfanyl-2-oxobenzimidazol-5-yl]benzamide
CID 50773210
2-bromo-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)benzamide
CID 50791980
2-chloro-N-[6-(4-fluorophenyl)sulfonyl-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzamide
CID 50824286
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide (CID 50792040) is 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is CCN(CC)c1cc2c(cc1NC(=O)c1ccccc1Cl)n(C)c(=O)c(=O)n2C.
What is the InChIKey of 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
The InChIKey is JZHCLBPCWGJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-5-26(6-2)16-12-18-17(24(3)20(28)21(29)25(18)4)11-15(16)23-19(27)13-9-7-8-10-14(13)22/h7-12H,5-6H2,1-4H3,(H,23,27).
What are the key properties of 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide?
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide has a molecular weight of 414.89 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide is sourced from PubChem (CID 50792040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).