N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

C18H15ClN2O4 — CID 137278981

IUPACN-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(Cl)cc3)c(O)n(C)c(=O)c2c1
InChIInChI=1S/C18H15ClN2O4/c1-21-17(23)14-9-12(25-2)7-8-13(14)15(18(21)24)16(22)20-11-5-3-10(19)4-6-11/h3-9,24H,1-2H3,(H,20,22)
InChIKeyXJVYKPTURUNVAH-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.16
Rot. Bonds3

About N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 137278981) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID137278981
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(Cl)cc3)c(O)n(C)c(=O)c2c1
InChIInChI=1S/C18H15ClN2O4/c1-21-17(23)14-9-12(25-2)7-8-13(14)15(18(21)24)16(22)20-11-5-3-10(19)4-6-11/h3-9,24H,1-2H3,(H,20,22)
InChIKeyXJVYKPTURUNVAH-UHFFFAOYSA-N
XLogP3.16
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 135497306
4-[(4-chlorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134117203
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
N-(4-chlorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727141
2-chloro-N-(4-methoxyphenyl)-1-methylindole-3-carboxamide
CID 1477196
N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137279231
N-(4-chlorophenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651140
2,3,5,6-tetrafluoro-1-N,4-N-bis(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 1014494
N-(4-chlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164619676
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
7-chloro-N-(3-methoxyphenyl)-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 15997262
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 137278981) is N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is COc1ccc2c(C(=O)Nc3ccc(Cl)cc3)c(O)n(C)c(=O)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is XJVYKPTURUNVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-21-17(23)14-9-12(25-2)7-8-13(14)15(18(21)24)16(22)20-11-5-3-10(19)4-6-11/h3-9,24H,1-2H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 358.78 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 137278981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).