6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide

C13H13FN2O2 — CID 171996999

IUPAC6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCN(C)C(=O)c1cc2cc(F)ccc2c(=O)n1C
InChIInChI=1S/C13H13FN2O2/c1-15(2)13(18)11-7-8-6-9(14)4-5-10(8)12(17)16(11)3/h4-7H,1-3H3
InChIKeyZIOBYDZKYJAAFO-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.38
Rot. Bonds1

About 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide

6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 171996999) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide
PubChem CID171996999
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide
SMILESCN(C)C(=O)c1cc2cc(F)ccc2c(=O)n1C
InChIInChI=1S/C13H13FN2O2/c1-15(2)13(18)11-7-8-6-9(14)4-5-10(8)12(17)16(11)3/h4-7H,1-3H3
InChIKeyZIOBYDZKYJAAFO-UHFFFAOYSA-N
XLogP1.38
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-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

1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N,2-Dimethyl-N-[3,5-bis(trifluoromethyl)benzyl]-1-oxo-4-(4-fluorophenyl)-1,2-dihydroisoquinoline-3-carboxamide
CID 9984665
N-[(Z)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1724396
3-Isoquinolinecarboxylic acid, 1,2-dihydro-2-methyl-1-oxo-
CID 2446736
N-[2-(2-Fluoro-phenyl)-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 2213200
4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 2461566
N-[2-(4-Fluoro-phenyl)-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5762396
N-[3-(diethylamino)propyl]-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
CID 16001841
1-(3-Fluorobenzoyl)-4-(3-methylbutanoyl)piperazine
CID 704283
3-(2-Piperidin-1-yl-acetyl)-1,3,4,5-tetrahydro-2H-benzo[c][1,7]naphthyridin-6-one
CID 9945164
2-Methyl-1-oxo-4-phenyl-1,2-dihydro-isoquinoline-3-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10052312
2-Methyl-1-oxo-4-o-tolyl-1,2-dihydro-isoquinoline-3-carboxylic acid (3,5-dimethyl-benzyl)-methyl-amide
CID 10432488

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide (CID 171996999) is 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide is CN(C)C(=O)c1cc2cc(F)ccc2c(=O)n1C.
What is the InChIKey of 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is ZIOBYDZKYJAAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-15(2)13(18)11-7-8-6-9(14)4-5-10(8)12(17)16(11)3/h4-7H,1-3H3.
What are the key properties of 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide?
6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N,2-trimethyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 171996999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).