6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide

C17H13FN2O2 — CID 171999932

IUPAC6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C17H13FN2O2/c1-10-2-5-13(6-3-10)19-17(22)15-9-11-8-12(18)4-7-14(11)16(21)20-15/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyRXUVVSFAJBRINV-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.23
Rot. Bonds2

About 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide

6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 171999932) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID171999932
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(F)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C17H13FN2O2/c1-10-2-5-13(6-3-10)19-17(22)15-9-11-8-12(18)4-7-14(11)16(21)20-15/h2-9H,1H3,(H,19,22)(H,20,21)
InChIKeyRXUVVSFAJBRINV-UHFFFAOYSA-N
XLogP3.23
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 40671457
N-(3,4-difluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802764
N-(4-fluorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 46669157
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
7-fluoro-2-methyl-N-(4-methylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 172904623
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
N-(4-fluorophenyl)acetamide;N-(4-methylphenyl)acetamide
CID 158705281
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
7-methyl-1-oxo-N-pyridin-3-yl-2H-isoquinoline-3-carboxamide
CID 172892515

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide (CID 171999932) is 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide is Cc1ccc(NC(=O)c2cc3cc(F)ccc3c(=O)[nH]2)cc1.
What is the InChIKey of 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is RXUVVSFAJBRINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-10-2-5-13(6-3-10)19-17(22)15-9-11-8-12(18)4-7-14(11)16(21)20-15/h2-9H,1H3,(H,19,22)(H,20,21).
What are the key properties of 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide?
6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 171999932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).