N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

C20H20ClN3O3 — CID 46249264

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1nc2cc(C)c(C)cc2n(C)c1=O
InChIInChI=1S/C20H20ClN3O3/c1-10-6-14-16(8-11(10)2)24(4)20(26)18(22-14)19(25)23-15-7-12(3)13(21)9-17(15)27-5/h6-9H,1-5H3,(H,23,25)
InChIKeyDTRCRDOQAIKCAR-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.77
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (PubChem CID 46249264) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
PubChem CID46249264
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1nc2cc(C)c(C)cc2n(C)c1=O
InChIInChI=1S/C20H20ClN3O3/c1-10-6-14-16(8-11(10)2)24(4)20(26)18(22-14)19(25)23-15-7-12(3)13(21)9-17(15)27-5/h6-9H,1-5H3,(H,23,25)
InChIKeyDTRCRDOQAIKCAR-UHFFFAOYSA-N
XLogP3.77
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50779982
N-(3-chloro-4-fluorophenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249302
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 175952260
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 55386862
2,4-dimethyl-3-[(4,6,7-trimethyl-3-oxoquinoxaline-2-carbonyl)amino]benzoic acid
CID 176885160
N-(4-chloro-2-methoxy-5-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600886
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,5-dimethoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 15993101
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 62153569
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide (CID 46249264) is N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1nc2cc(C)c(C)cc2n(C)c1=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
The InChIKey is DTRCRDOQAIKCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-10-6-14-16(8-11(10)2)24(4)20(26)18(22-14)19(25)23-15-7-12(3)13(21)9-17(15)27-5/h6-9H,1-5H3,(H,23,25).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide is sourced from PubChem (CID 46249264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).