(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone

C17H12FNO — CID 63948626

IUPAC(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone
SMILESCc1ccc(F)cc1C(=O)c1nccc2ccccc12
InChIInChI=1S/C17H12FNO/c1-11-6-7-13(18)10-15(11)17(20)16-14-5-3-2-4-12(14)8-9-19-16/h2-10H,1H3
InChIKeyNKVDIAYTXLNRGB-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.91
Rot. Bonds2

About (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone

(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone (PubChem CID 63948626) has the molecular formula C17H12FNO and a molecular weight of 265.29 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone
PubChem CID63948626
Molecular FormulaC17H12FNO
Molecular Weight265.29 g/mol
Exact Mass265.09
IUPAC Name(5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone
SMILESCc1ccc(F)cc1C(=O)c1nccc2ccccc12
InChIInChI=1S/C17H12FNO/c1-11-6-7-13(18)10-15(11)17(20)16-14-5-3-2-4-12(14)8-9-19-16/h2-10H,1H3
InChIKeyNKVDIAYTXLNRGB-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

(3,5-difluorophenyl)-isoquinolin-1-ylmethanone
CID 63949034
(5-fluoro-3-pyridinyl)-isoquinolin-1-ylmethanone
CID 63948426
1-(5-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanone
CID 63409453
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-(dimethylaminomethylidene)-5-fluoro-2-methylbenzamide;7-fluoroisoquinoline-1-carboxylic acid
CID 175350512
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
5-fluoro-N-(5-fluoro-2-methylbenzoyl)-2-methyl-N-pyridin-2-ylbenzamide
CID 140984140
isoquinoline-1-carboxamide;hydrochloride
CID 57458906
7-fluoroisoquinoline-1-carboxamide
CID 82573928
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone (CID 63948626) is (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone is Cc1ccc(F)cc1C(=O)c1nccc2ccccc12.
What is the InChIKey of (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone?
The InChIKey is NKVDIAYTXLNRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO/c1-11-6-7-13(18)10-15(11)17(20)16-14-5-3-2-4-12(14)8-9-19-16/h2-10H,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone?
(5-fluoro-2-methylphenyl)-isoquinolin-1-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 (5-fluoro-2-methylphenyl)-isoquinolin-1-ylmethanone is sourced from PubChem (CID 63948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).