(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone

C17H12FNO — CID 114970988

IUPAC(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
SMILESCc1ccc(F)c(C(=O)c2cccc3cnccc23)c1
InChIInChI=1S/C17H12FNO/c1-11-5-6-16(18)15(9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10H,1H3
InChIKeyGSFJEQLRNDBQPV-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.91
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone

(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone (PubChem CID 114970988) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
PubChem CID114970988
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name(2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone
SMILESCc1ccc(F)c(C(=O)c2cccc3cnccc23)c1
InChIInChI=1S/C17H12FNO/c1-11-5-6-16(18)15(9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10H,1H3
InChIKeyGSFJEQLRNDBQPV-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

(5-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanone
CID 114885039
isoquinolin-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 114970995
(2-fluoro-4-methylphenyl)-isoquinolin-4-ylmethanone
CID 114971945
isoquinolin-5-yl-(2-methylsulfanylphenyl)methanone
CID 114970947
(2-bromo-3-methylphenyl)-isoquinolin-5-ylmethanone
CID 107984477
(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanone
CID 103134060
(4,5-dimethylthiophen-2-yl)-isoquinolin-5-ylmethanone
CID 114970959
(2,4-dibromophenyl)-isoquinolin-5-ylmethanone
CID 107944438
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846
(2,3,4,5,6-pentafluorophenyl) isoquinoline-5-carboxylate
CID 23436756
isoquinolin-5-yl-(2-methyl-1,3-thiazol-5-yl)methanone
CID 114031561
2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
CID 62813173

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone (CID 114970988) is (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone is Cc1ccc(F)c(C(=O)c2cccc3cnccc23)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone?
The InChIKey is GSFJEQLRNDBQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-11-5-6-16(18)15(9-11)17(20)14-4-2-3-12-10-19-8-7-13(12)14/h2-10H,1H3.
What are the key properties of (2-fluoro-5-methylphenyl)-isoquinolin-5-ylmethanone?
(2-fluoro-5-methylphenyl)-isoquinolin-5-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-5-methylphenyl)-isoquinolin-5-ylmethanone is sourced from PubChem (CID 114970988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).