(3-fluorophenyl)-quinolin-5-ylmethanone

C16H10FNO — CID 81216607

IUPAC(3-fluorophenyl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc(F)c1)c1cccc2ncccc12
InChIInChI=1S/C16H10FNO/c17-12-5-1-4-11(10-12)16(19)14-6-2-8-15-13(14)7-3-9-18-15/h1-10H
InChIKeyLHNGYJUAFMDBMW-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.60
Rot. Bonds2

About (3-fluorophenyl)-quinolin-5-ylmethanone

(3-fluorophenyl)-quinolin-5-ylmethanone (PubChem CID 81216607) has the molecular formula C16H10FNO and a molecular weight of 251.26 g/mol. Its IUPAC name is (3-fluorophenyl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(3-fluorophenyl)-quinolin-5-ylmethanone
PubChem CID81216607
Molecular FormulaC16H10FNO
Molecular Weight251.26 g/mol
Exact Mass251.07
IUPAC Name(3-fluorophenyl)-quinolin-5-ylmethanone
SMILESO=C(c1cccc(F)c1)c1cccc2ncccc12
InChIInChI=1S/C16H10FNO/c17-12-5-1-4-11(10-12)16(19)14-6-2-8-15-13(14)7-3-9-18-15/h1-10H
InChIKeyLHNGYJUAFMDBMW-UHFFFAOYSA-N
XLogP3.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-5-fluorophenyl)-quinolin-5-ylmethanone
CID 115789832
(4-iodophenyl)-quinolin-5-ylmethanone
CID 115604846
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
(4-bromo-3,5-dimethylphenyl)-quinolin-5-ylmethanone
CID 114329586
(3,4-difluorophenyl)-quinolin-4-ylmethanone
CID 86811172
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
2-(3-fluorophenyl)sulfanyl-1-quinolin-5-ylethanone
CID 81197710
(2,5-difluorophenyl)-quinolin-4-ylmethanone
CID 86811170
(3-methoxyphenyl)-quinolin-4-ylmethanone
CID 86811128
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-quinolin-5-ylmethanone?
The IUPAC name of (3-fluorophenyl)-quinolin-5-ylmethanone (CID 81216607) is (3-fluorophenyl)-quinolin-5-ylmethanone.
What is the SMILES notation for (3-fluorophenyl)-quinolin-5-ylmethanone?
The canonical SMILES for (3-fluorophenyl)-quinolin-5-ylmethanone is O=C(c1cccc(F)c1)c1cccc2ncccc12.
What is the InChIKey of (3-fluorophenyl)-quinolin-5-ylmethanone?
The InChIKey is LHNGYJUAFMDBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO/c17-12-5-1-4-11(10-12)16(19)14-6-2-8-15-13(14)7-3-9-18-15/h1-10H.
What are the key properties of (3-fluorophenyl)-quinolin-5-ylmethanone?
(3-fluorophenyl)-quinolin-5-ylmethanone has a molecular weight of 251.26 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-quinolin-5-ylmethanone is sourced from PubChem (CID 81216607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).