7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide

C18H15ClN2O4 — CID 137314264

IUPAC7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(O)n(C)c(=O)c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClN2O4/c1-21-17(23)12-9-10(19)7-8-11(12)15(18(21)24)16(22)20-13-5-3-4-6-14(13)25-2/h3-9,24H,1-2H3,(H,20,22)
InChIKeyMBSSLUUCNXNKNJ-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.16
Rot. Bonds3

About 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide

7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 137314264) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID137314264
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(O)n(C)c(=O)c2cc(Cl)ccc12
InChIInChI=1S/C18H15ClN2O4/c1-21-17(23)12-9-10(19)7-8-11(12)15(18(21)24)16(22)20-13-5-3-4-6-14(13)25-2/h3-9,24H,1-2H3,(H,20,22)
InChIKeyMBSSLUUCNXNKNJ-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
N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137278981
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
7-chloro-N-(2-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-3-carboxamide
CID 29140929
N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137279231
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
N-(5-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679620
N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683270
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
N-(5-chloro-2-methoxyphenyl)-2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carboxamide
CID 4623063
N-(5-chloro-2-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204438
N-(2-chlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 84579322

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 137314264) is 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is COc1ccccc1NC(=O)c1c(O)n(C)c(=O)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is MBSSLUUCNXNKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-21-17(23)12-9-10(19)7-8-11(12)15(18(21)24)16(22)20-13-5-3-4-6-14(13)25-2/h3-9,24H,1-2H3,(H,20,22).
What are the key properties of 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide?
7-chloro-3-hydroxy-N-(2-methoxyphenyl)-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 7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 137314264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).