4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate

C17H12FN2O3- — CID 134090481

IUPAC4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
SMILESCn1c([O-])c(C(=O)Nc2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C17H13FN2O3/c1-20-16(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
InChIKeyQIWQLPXGJWMXAZ-UHFFFAOYSA-M
MW311.29 g/mol
LogP2.00
Rot. Bonds2

About 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate

4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate (PubChem CID 134090481) has the molecular formula C17H12FN2O3- and a molecular weight of 311.29 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate.

Molecular Properties

Compound Name4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
PubChem CID134090481
Molecular FormulaC17H12FN2O3-
Molecular Weight311.29 g/mol
Exact Mass311.08
IUPAC Name4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
SMILESCn1c([O-])c(C(=O)Nc2ccccc2F)c2ccccc2c1=O
InChIInChI=1S/C17H13FN2O3/c1-20-16(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
InChIKeyQIWQLPXGJWMXAZ-UHFFFAOYSA-M
XLogP2.00
TPSA74.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate
CID 134117203
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 123856404
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224
N-(2-fluorophenyl)-2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
CID 110681224
N-(2,4-dimethylphenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137290391
N,3-bis(2-fluorophenyl)-4-oxoquinazoline-7-carboxamide
CID 39314350
4-amino-N-(2-fluorophenyl)-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
CID 3769533
N-(2-fluorophenyl)-7-(2-methoxyethyl)-1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 42209028
N-(2,6-dichlorophenyl)-3-hydroxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 137279231
N-(2-fluorophenyl)-5-methylfuran-2-carboxamide
CID 3297570
[2-(2-fluoroanilino)-2-oxoethyl] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate
CID 23887606

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate?
The IUPAC name of 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate (CID 134090481) is 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate.
What is the SMILES notation for 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate?
The canonical SMILES for 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate is Cn1c([O-])c(C(=O)Nc2ccccc2F)c2ccccc2c1=O.
What is the InChIKey of 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate?
The InChIKey is QIWQLPXGJWMXAZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13FN2O3/c1-20-16(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-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate?
4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate has a molecular weight of 311.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)carbamoyl]-2-methyl-1-oxoisoquinolin-3-olate is sourced from PubChem (CID 134090481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).