4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate

C17H12ClN2O4- — CID 134090483

IUPAC4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate
SMILESCOn1c([O-])c(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H13ClN2O4/c1-24-20-16(22)11-7-3-2-6-10(11)14(17(20)23)15(21)19-13-9-5-4-8-12(13)18/h2-9,23H,1H3,(H,19,21)/p-1
InChIKeyCODRAUQPTOZDNO-UHFFFAOYSA-M
MW343.75 g/mol
LogP2.04
Rot. Bonds3

About 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate

4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate (PubChem CID 134090483) has the molecular formula C17H12ClN2O4- and a molecular weight of 343.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate.

Molecular Properties

Compound Name4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate
PubChem CID134090483
Molecular FormulaC17H12ClN2O4-
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate
SMILESCOn1c([O-])c(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O
InChIInChI=1S/C17H13ClN2O4/c1-24-20-16(22)11-7-3-2-6-10(11)14(17(20)23)15(21)19-13-9-5-4-8-12(13)18/h2-9,23H,1H3,(H,19,21)/p-1
InChIKeyCODRAUQPTOZDNO-UHFFFAOYSA-M
XLogP2.04
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134090481
4-[(4-chlorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134117203
N-(2-chlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 84579322
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
N-(2-chlorophenyl)-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 54710508
N-(2-chlorophenyl)-4-methoxynaphthalene-1-carboxamide
CID 110169740
N-(2-chlorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54726905
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137279231
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-(2-chlorophenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015288

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate?
The IUPAC name of 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate (CID 134090483) is 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate.
What is the SMILES notation for 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate?
The canonical SMILES for 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate is COn1c([O-])c(C(=O)Nc2ccccc2Cl)c2ccccc2c1=O.
What is the InChIKey of 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate?
The InChIKey is CODRAUQPTOZDNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13ClN2O4/c1-24-20-16(22)11-7-3-2-6-10(11)14(17(20)23)15(21)19-13-9-5-4-8-12(13)18/h2-9,23H,1H3,(H,19,21)/p-1.
What are the key properties of 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate?
4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate has a molecular weight of 343.75 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)carbamoyl]-2-methoxy-1-oxoisoquinolin-3-olate is sourced from PubChem (CID 134090483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).