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

C17H11Cl3N2O3 — CID 135497306

IUPAC6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H11Cl3N2O3/c1-22-16(24)10-4-2-8(18)6-11(10)14(17(22)25)15(23)21-13-5-3-9(19)7-12(13)20/h2-7,25H,1H3,(H,21,23)
InChIKeyBJUFOUUSNLKBEG-UHFFFAOYSA-N
MW397.65 g/mol
LogP4.46
Rot. Bonds2

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

6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 135497306) has the molecular formula C17H11Cl3N2O3 and a molecular weight of 397.65 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID135497306
Molecular FormulaC17H11Cl3N2O3
Molecular Weight397.65 g/mol
Exact Mass395.98
IUPAC Name6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2c1=O
InChIInChI=1S/C17H11Cl3N2O3/c1-22-16(24)10-4-2-8(18)6-11(10)14(17(22)25)15(23)21-13-5-3-9(19)7-12(13)20/h2-7,25H,1H3,(H,21,23)
InChIKeyBJUFOUUSNLKBEG-UHFFFAOYSA-N
XLogP4.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.65
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-hydroxy-N-(2-methoxyphenyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137314264
N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137279231
N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137290391
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317
6,8-dichloro-N-(2,4-dichlorophenyl)-2-methylsulfanyl-4-oxo-1H-quinoline-3-carboxamide
CID 59323484
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
N-(2,4-dichlorophenyl)propanamide
CID 923083
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 135497306) is 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide is Cn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c2cc(Cl)ccc2c1=O.
What is the InChIKey of 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is BJUFOUUSNLKBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O3/c1-22-16(24)10-4-2-8(18)6-11(10)14(17(22)25)15(23)21-13-5-3-9(19)7-12(13)20/h2-7,25H,1H3,(H,21,23).
What are the key properties of 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 397.65 g/mol, XLogP of 4.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 135497306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).