3-ethyl-1-(3-fluorophenyl)isoquinoline

C17H14FN — CID 140508145

IUPAC3-ethyl-1-(3-fluorophenyl)isoquinoline
SMILESCCc1cc2ccccc2c(-c2cccc(F)c2)n1
InChIInChI=1S/C17H14FN/c1-2-15-11-12-6-3-4-9-16(12)17(19-15)13-7-5-8-14(18)10-13/h3-11H,2H2,1H3
InChIKeyORBZFFXCYWDGOT-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.60
Rot. Bonds2

About 3-ethyl-1-(3-fluorophenyl)isoquinoline

3-ethyl-1-(3-fluorophenyl)isoquinoline (PubChem CID 140508145) has the molecular formula C17H14FN and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-ethyl-1-(3-fluorophenyl)isoquinoline.

Molecular Properties

Compound Name3-ethyl-1-(3-fluorophenyl)isoquinoline
PubChem CID140508145
Molecular FormulaC17H14FN
Molecular Weight251.30 g/mol
Exact Mass251.11
IUPAC Name3-ethyl-1-(3-fluorophenyl)isoquinoline
SMILESCCc1cc2ccccc2c(-c2cccc(F)c2)n1
InChIInChI=1S/C17H14FN/c1-2-15-11-12-6-3-4-9-16(12)17(19-15)13-7-5-8-14(18)10-13/h3-11H,2H2,1H3
InChIKeyORBZFFXCYWDGOT-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-naphthalen-1-ylisoquinoline
CID 140508160
3-(2,2-difluoroethyl)-1-phenylisoquinoline
CID 58852769
8-(3-fluorophenyl)-6-propyl-1,7-naphthyridine
CID 174570438
2,3-bis(3-fluorophenyl)quinoxaline
CID 5127743
1-fluoro-3-(3-fluorophenyl)naphthalene
CID 46313976
3-hexyl-1-(4-methylphenyl)isoquinoline
CID 139263476
3-(3-fluorophenyl)-1-phenylnaphthalene
CID 176904278
3-fluoro-2-(3-fluorophenyl)quinoline
CID 91805294
(3-ethylisoquinolin-1-yl)hydrazine
CID 153410703
6-(bromomethyl)-3-chloro-2-(3-fluorophenyl)pyridine
CID 58443291
9-(3-fluorophenyl)-10-[10-(3-fluorophenyl)anthracen-9-yl]anthracene
CID 102497816
[6-(3-fluorophenyl)-5-methoxypyrazin-2-yl]methanamine
CID 83850538

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-fluorophenyl)isoquinoline?
The IUPAC name of 3-ethyl-1-(3-fluorophenyl)isoquinoline (CID 140508145) is 3-ethyl-1-(3-fluorophenyl)isoquinoline.
What is the SMILES notation for 3-ethyl-1-(3-fluorophenyl)isoquinoline?
The canonical SMILES for 3-ethyl-1-(3-fluorophenyl)isoquinoline is CCc1cc2ccccc2c(-c2cccc(F)c2)n1.
What is the InChIKey of 3-ethyl-1-(3-fluorophenyl)isoquinoline?
The InChIKey is ORBZFFXCYWDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN/c1-2-15-11-12-6-3-4-9-16(12)17(19-15)13-7-5-8-14(18)10-13/h3-11H,2H2,1H3.
What are the key properties of 3-ethyl-1-(3-fluorophenyl)isoquinoline?
3-ethyl-1-(3-fluorophenyl)isoquinoline has a molecular weight of 251.30 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-fluorophenyl)isoquinoline is sourced from PubChem (CID 140508145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).