N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide

C18H16ClN3O3 — CID 46249057

IUPACN-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc2c(cc1Cl)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C18H16ClN3O3/c1-10-6-4-5-7-11(10)16(23)20-13-9-15-14(8-12(13)19)21(2)17(24)18(25)22(15)3/h4-9H,1-3H3,(H,20,23)
InChIKeyQSOFRXRKZZPCKW-UHFFFAOYSA-N
MW357.80 g/mol
LogP2.45
Rot. Bonds2

About N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide

N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide (PubChem CID 46249057) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
PubChem CID46249057
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC NameN-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc2c(cc1Cl)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C18H16ClN3O3/c1-10-6-4-5-7-11(10)16(23)20-13-9-15-14(8-12(13)19)21(2)17(24)18(25)22(15)3/h4-9H,1-3H3,(H,20,23)
InChIKeyQSOFRXRKZZPCKW-UHFFFAOYSA-N
XLogP2.45
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.45
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

N-[7-(dimethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 17252034
2-methyl-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 46249111
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-[1,4-dimethyl-7-(4-methylpiperidin-1-yl)-2,3-dioxoquinoxalin-6-yl]-2-methylbenzamide
CID 50792225
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-(2-chloro-4-hydroxyphenyl)-2-methylbenzamide
CID 64787154
2-chloro-N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]benzamide
CID 50792040
2-chloro-N-(1,4-diethyl-7-methyl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 50793038
N-[4-amino-2-chloro-5-(dimethylamino)phenyl]-2-methylbenzamide
CID 50881169
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide?
The IUPAC name of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide (CID 46249057) is N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide.
What is the SMILES notation for N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide?
The canonical SMILES for N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc2c(cc1Cl)n(C)c(=O)c(=O)n2C.
What is the InChIKey of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide?
The InChIKey is QSOFRXRKZZPCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-10-6-4-5-7-11(10)16(23)20-13-9-15-14(8-12(13)19)21(2)17(24)18(25)22(15)3/h4-9H,1-3H3,(H,20,23).
What are the key properties of N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide?
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide has a molecular weight of 357.80 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-methylbenzamide is sourced from PubChem (CID 46249057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).