N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide

C19H18ClN3O2 — CID 55386862

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C19H18ClN3O2/c1-10-7-17(18(25-4)9-14(10)20)23-19(24)13-5-6-15-16(8-13)22-12(3)11(2)21-15/h5-9H,1-4H3,(H,23,24)
InChIKeySTRQRQMUQOPILC-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.47
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 55386862) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID55386862
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C19H18ClN3O2/c1-10-7-17(18(25-4)9-14(10)20)23-19(24)13-5-6-15-16(8-13)22-12(3)11(2)21-15/h5-9H,1-4H3,(H,23,24)
InChIKeySTRQRQMUQOPILC-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-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
3-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 81456873
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
1-N-(4-chloro-2-methoxy-5-methylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050654
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-3-fluorobenzamide
CID 60589124
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50779982
N-(4-chloro-2-methoxy-5-methylphenyl)-4-methyl-3-nitrobenzamide
CID 2668909
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide (CID 55386862) is N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is STRQRQMUQOPILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-10-7-17(18(25-4)9-14(10)20)23-19(24)13-5-6-15-16(8-13)22-12(3)11(2)21-15/h5-9H,1-4H3,(H,23,24).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-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-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 55386862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).