2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline

C18H14FN — CID 175043442

IUPAC2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline
SMILESC=C(c1ccc(F)c(C)c1)c1ccc2ccccc2n1
InChIInChI=1S/C18H14FN/c1-12-11-15(7-9-16(12)19)13(2)17-10-8-14-5-3-4-6-18(14)20-17/h3-11H,2H2,1H3
InChIKeyXHNZNUYMDMMUJS-UHFFFAOYSA-N
MW263.32 g/mol
LogP4.74
Rot. Bonds2

About 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline

2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline (PubChem CID 175043442) has the molecular formula C18H14FN and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline
PubChem CID175043442
Molecular FormulaC18H14FN
Molecular Weight263.32 g/mol
Exact Mass263.11
IUPAC Name2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline
SMILESC=C(c1ccc(F)c(C)c1)c1ccc2ccccc2n1
InChIInChI=1S/C18H14FN/c1-12-11-15(7-9-16(12)19)13(2)17-10-8-14-5-3-4-6-18(14)20-17/h3-11H,2H2,1H3
InChIKeyXHNZNUYMDMMUJS-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-4-methylphenyl)-quinolin-2-ylmethanone
CID 107128303
(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
(3-iodo-5-methylphenyl)-quinolin-2-ylmethanone
CID 122393251
1-(4-fluoro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 79189923
2-(3-chloroprop-1-en-2-yl)quinoline
CID 54037499
N'-(4-fluorobenzoyl)quinoline-2-carbohydrazide
CID 7779547
3-methyl-1-quinolin-2-ylbut-3-en-1-one
CID 79177139
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]quinoline
CID 155373774
2-(1,3-benzothiazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 63213569
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N'-(3,5-dimethylbenzoyl)quinoline-2-carbohydrazide
CID 29266891

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline?
The IUPAC name of 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline (CID 175043442) is 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline.
What is the SMILES notation for 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline?
The canonical SMILES for 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline is C=C(c1ccc(F)c(C)c1)c1ccc2ccccc2n1.
What is the InChIKey of 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline?
The InChIKey is XHNZNUYMDMMUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN/c1-12-11-15(7-9-16(12)19)13(2)17-10-8-14-5-3-4-6-18(14)20-17/h3-11H,2H2,1H3.
What are the key properties of 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline?
2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline has a molecular weight of 263.32 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-3-methylphenyl)ethenyl]quinoline is sourced from PubChem (CID 175043442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).