N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide

C17H12Cl2N2O3 — CID 137279231

IUPACN-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1c(O)c(C(=O)Nc2c(Cl)cccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-21-16(23)10-6-3-2-5-9(10)13(17(21)24)15(22)20-14-11(18)7-4-8-12(14)19/h2-8,24H,1H3,(H,20,22)
InChIKeyBJIUQKGTBOHIPA-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.80
Rot. Bonds2

About N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide

N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 137279231) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID137279231
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1c(O)c(C(=O)Nc2c(Cl)cccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-21-16(23)10-6-3-2-5-9(10)13(17(21)24)15(22)20-14-11(18)7-4-8-12(14)19/h2-8,24H,1H3,(H,20,22)
InChIKeyBJIUQKGTBOHIPA-UHFFFAOYSA-N
XLogP3.80
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137290391
7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137314264
4-[(4-chlorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134117203
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
N-(4-chlorophenyl)-3-hydroxy-7-methoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137278981
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate
CID 134090483
4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134090481
N-(2,6-dichlorophenyl)-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511727
4-[(2,6-dichlorophenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498506

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 137279231) is N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide is Cn1c(O)c(C(=O)Nc2c(Cl)cccc2Cl)c2ccccc2c1=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is BJIUQKGTBOHIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-21-16(23)10-6-3-2-5-9(10)13(17(21)24)15(22)20-14-11(18)7-4-8-12(14)19/h2-8,24H,1H3,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 137279231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).