N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide

C19H18ClN3O2 — CID 50780090

IUPACN-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-10-5-6-13(9-14(10)20)21-18(24)17-19(25-4)23-16-8-12(3)11(2)7-15(16)22-17/h5-9H,1-4H3,(H,21,24)
InChIKeyHBRXAAGUOGVCRL-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.47
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide

N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide (PubChem CID 50780090) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
PubChem CID50780090
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
SMILESCOc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-10-5-6-13(9-14(10)20)21-18(24)17-19(25-4)23-16-8-12(3)11(2)7-15(16)22-17/h5-9H,1-4H3,(H,21,24)
InChIKeyHBRXAAGUOGVCRL-UHFFFAOYSA-N
XLogP4.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
3-methoxy-6,7-dimethyl-N-(4-methylphenyl)quinoxaline-2-carboxamide
CID 50780048
3-methoxy-6,7-dimethyl-N-(4-propan-2-ylphenyl)quinoxaline-2-carboxamide
CID 50779903
N-[4-(4-chlorophenoxy)phenyl]-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780071
N-(4-bromo-3-methylphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780732
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866916
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 104782321
4-bromo-N-(3-chloro-4-methylphenyl)-2-methoxybenzamide
CID 115369155
4-N-(3-chloro-4-methylphenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092947
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide (CID 50780090) is N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide is COc1nc2cc(C)c(C)cc2nc1C(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
The InChIKey is HBRXAAGUOGVCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-10-5-6-13(9-14(10)20)21-18(24)17-19(25-4)23-16-8-12(3)11(2)7-15(16)22-17/h5-9H,1-4H3,(H,21,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide?
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide is sourced from PubChem (CID 50780090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).