(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone

C17H12FNO — CID 114971945

IUPAC(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
SMILESCc1ccc(C(=O)c2cncc3ccccc23)c(F)c1
InChIInChI=1S/C17H12FNO/c1-11-6-7-14(16(18)8-11)17(20)15-10-19-9-12-4-2-3-5-13(12)15/h2-10H,1H3
InChIKeyUDGFVFVAIVFEAT-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.91
Rot. Bonds2

About (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone

(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone (PubChem CID 114971945) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
PubChem CID114971945
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
SMILESCc1ccc(C(=O)c2cncc3ccccc23)c(F)c1
InChIInChI=1S/C17H12FNO/c1-11-6-7-14(16(18)8-11)17(20)15-10-19-9-12-4-2-3-5-13(12)15/h2-10H,1H3
InChIKeyUDGFVFVAIVFEAT-UHFFFAOYSA-N
XLogP3.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-isoquinolin-4-ylmethanone
CID 63939195
(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
CID 114970988
(2-chlorophenyl)-(2-fluoro-4-methylphenyl)methanone
CID 114963346
(4-bromo-3,5-dimethylphenyl)-isoquinolin-4-ylmethanone
CID 114329672
(2-bromo-6-fluorophenyl)-isoquinolin-4-ylmethanone
CID 114885354
isoquinolin-4-yl-(4-methylsulfanylphenyl)methanone
CID 114971965
1-isoquinolin-4-yl-2-(4-methylphenyl)ethanone
CID 63940934
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
(4-bromo-3-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971892
isoquinolin-4-yl(pyrimidin-2-yl)methanone
CID 63939192
(3,5-dibromophenyl)-isoquinolin-4-ylmethanone
CID 107976832
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone (CID 114971945) is (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone is Cc1ccc(C(=O)c2cncc3ccccc23)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone?
The InChIKey is UDGFVFVAIVFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-11-6-7-14(16(18)8-11)17(20)15-10-19-9-12-4-2-3-5-13(12)15/h2-10H,1H3.
What are the key properties of (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone?
(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone has a molecular weight of 265.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 114971945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).