[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone

C22H14FNO — CID 90670605

IUPAC[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1
InChIInChI=1S/C22H14FNO/c23-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)24-21(19)22(25)16-6-2-1-3-7-16/h1-14H
InChIKeyXQPOUGAVSXWEIL-UHFFFAOYSA-N
MW327.36 g/mol
LogP5.27
Rot. Bonds3

About [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone

[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone (PubChem CID 90670605) has the molecular formula C22H14FNO and a molecular weight of 327.36 g/mol. Its IUPAC name is [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone
PubChem CID90670605
Molecular FormulaC22H14FNO
Molecular Weight327.36 g/mol
Exact Mass327.11
IUPAC Name[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1
InChIInChI=1S/C22H14FNO/c23-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)24-21(19)22(25)16-6-2-1-3-7-16/h1-14H
InChIKeyXQPOUGAVSXWEIL-UHFFFAOYSA-N
XLogP5.27
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone?
The IUPAC name of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone (CID 90670605) is [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone is O=C(c1ccccc1)c1nc2ccccc2cc1-c1ccc(F)cc1.
What is the InChIKey of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone?
The InChIKey is XQPOUGAVSXWEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FNO/c23-18-12-10-15(11-13-18)19-14-17-8-4-5-9-20(17)24-21(19)22(25)16-6-2-1-3-7-16/h1-14H.
What are the key properties of [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone?
[3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone has a molecular weight of 327.36 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)quinolin-2-yl]-phenylmethanone is sourced from PubChem (CID 90670605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).