1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline

C18H14FN — CID 175236001

IUPAC1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline
SMILESCc1c(F)cccc1C=Cc1nccc2ccccc12
InChIInChI=1S/C18H14FN/c1-13-14(6-4-8-17(13)19)9-10-18-16-7-3-2-5-15(16)11-12-20-18/h2-12H,1H3
InChIKeyCZSOVXZAKOSFRS-UHFFFAOYSA-N
MW263.31 g/mol
LogP4.85
Rot. Bonds2

About 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline

1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline (PubChem CID 175236001) has the molecular formula C18H14FN and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline.

Molecular Properties

Compound Name1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline
PubChem CID175236001
Molecular FormulaC18H14FN
Molecular Weight263.31 g/mol
Exact Mass263.11
IUPAC Name1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline
SMILESCc1c(F)cccc1C=Cc1nccc2ccccc12
InChIInChI=1S/C18H14FN/c1-13-14(6-4-8-17(13)19)9-10-18-16-7-3-2-5-15(16)11-12-20-18/h2-12H,1H3
InChIKeyCZSOVXZAKOSFRS-UHFFFAOYSA-N
XLogP4.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-naphthalen-1-ylethenyl)pyridin-3-amine
CID 141379891
(1E,4E)-1,5-di(isoquinolin-1-yl)penta-1,4-dien-3-one
CID 56955751
CID 58652174
CID 58652174
ethyl 4-isoquinolin-1-ylbut-3-enoate
CID 170796327
hydron;isoquinoline-1-carbaldehyde
CID 174514236
4-(3-fluoro-2-methylphenyl)but-3-ene-1-thiol
CID 170477843
4-(3-fluoro-2-methylphenyl)but-3-enenitrile
CID 170799207
2-methyl-5-[(E)-2-naphthalen-1-ylethenyl]pyridine
CID 6011457
1-(1,1-difluoroethyl)isoquinoline
CID 150195084
4-methyl-2,6-bis(2-naphthalen-1-ylethenyl)pyridine
CID 67805142
1,2-dimethyl-4-[(E)-2-naphthalen-1-ylethenyl]naphthalene
CID 6253992
CID 175309545
CID 175309545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline?
The IUPAC name of 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline (CID 175236001) is 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline.
What is the SMILES notation for 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline?
The canonical SMILES for 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline is Cc1c(F)cccc1C=Cc1nccc2ccccc12.
What is the InChIKey of 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline?
The InChIKey is CZSOVXZAKOSFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN/c1-13-14(6-4-8-17(13)19)9-10-18-16-7-3-2-5-15(16)11-12-20-18/h2-12H,1H3.
What are the key properties of 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline?
1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline has a molecular weight of 263.31 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-2-methylphenyl)ethenyl]isoquinoline is sourced from PubChem (CID 175236001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).