2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one

C16H14FNO — CID 144810885

IUPAC2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one
SMILESCc1cc2ccccc2c(=O)n1C1=CCCC=C1F
InChIInChI=1S/C16H14FNO/c1-11-10-12-6-2-3-7-13(12)16(19)18(11)15-9-5-4-8-14(15)17/h2-3,6-10H,4-5H2,1H3
InChIKeyGVIPQPQUZYELFM-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.80
Rot. Bonds1

About 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one

2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one (PubChem CID 144810885) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one.

Molecular Properties

Compound Name2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one
PubChem CID144810885
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one
SMILESCc1cc2ccccc2c(=O)n1C1=CCCC=C1F
InChIInChI=1S/C16H14FNO/c1-11-10-12-6-2-3-7-13(12)16(19)18(11)15-9-5-4-8-14(15)17/h2-3,6-10H,4-5H2,1H3
InChIKeyGVIPQPQUZYELFM-UHFFFAOYSA-N
XLogP3.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methylisoquinolin-1-one
CID 155699328
2-(2-methylphenyl)-3-propylisoquinolin-1-one
CID 176652647
3-amino-2-(2,6-dichloro-3-methylphenyl)isoquinolin-1-one
CID 43162653
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
8-fluoro-2-(6-methoxy-3-methylcyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one
CID 144810855
3-amino-2-(2-chloro-4-fluorophenyl)isoquinolin-1-one
CID 43341017
3-amino-2-(3-chloro-4-methylphenyl)isoquinolin-1-one
CID 43341031
3-(4-methylsulfanylphenyl)-2-phenylisoquinolin-1-one
CID 102338686
2-methylbenzo[b]quinolizin-6-one
CID 2752779
2-phenyl-3-pyridin-4-ylisoquinolin-1-one
CID 15193134
3-amino-2-(2-chloro-4,6-difluorophenyl)isoquinolin-1-one
CID 83073965

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one?
The IUPAC name of 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one (CID 144810885) is 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one.
What is the SMILES notation for 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one?
The canonical SMILES for 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one is Cc1cc2ccccc2c(=O)n1C1=CCCC=C1F.
What is the InChIKey of 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one?
The InChIKey is GVIPQPQUZYELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-11-10-12-6-2-3-7-13(12)16(19)18(11)15-9-5-4-8-14(15)17/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one?
2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one has a molecular weight of 255.29 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluorocyclohexa-1,5-dien-1-yl)-3-methylisoquinolin-1-one is sourced from PubChem (CID 144810885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).