(3-fluorophenyl)-quinolin-2-ylmethanone

C16H10FNO — CID 45272615

IUPAC(3-fluorophenyl)-quinolin-2-ylmethanone
SMILESO=C(c1cccc(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H10FNO/c17-13-6-3-5-12(10-13)16(19)15-9-8-11-4-1-2-7-14(11)18-15/h1-10H
InChIKeySPPWHEHUBGOKFG-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.60
Rot. Bonds2

About (3-fluorophenyl)-quinolin-2-ylmethanone

(3-fluorophenyl)-quinolin-2-ylmethanone (PubChem CID 45272615) has the molecular formula C16H10FNO and a molecular weight of 251.26 g/mol. Its IUPAC name is (3-fluorophenyl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(3-fluorophenyl)-quinolin-2-ylmethanone
PubChem CID45272615
Molecular FormulaC16H10FNO
Molecular Weight251.26 g/mol
Exact Mass251.07
IUPAC Name(3-fluorophenyl)-quinolin-2-ylmethanone
SMILESO=C(c1cccc(F)c1)c1ccc2ccccc2n1
InChIInChI=1S/C16H10FNO/c17-13-6-3-5-12(10-13)16(19)15-9-8-11-4-1-2-7-14(11)18-15/h1-10H
InChIKeySPPWHEHUBGOKFG-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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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-quinolin-2-ylmethanone?
The IUPAC name of (3-fluorophenyl)-quinolin-2-ylmethanone (CID 45272615) is (3-fluorophenyl)-quinolin-2-ylmethanone.
What is the SMILES notation for (3-fluorophenyl)-quinolin-2-ylmethanone?
The canonical SMILES for (3-fluorophenyl)-quinolin-2-ylmethanone is O=C(c1cccc(F)c1)c1ccc2ccccc2n1.
What is the InChIKey of (3-fluorophenyl)-quinolin-2-ylmethanone?
The InChIKey is SPPWHEHUBGOKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO/c17-13-6-3-5-12(10-13)16(19)15-9-8-11-4-1-2-7-14(11)18-15/h1-10H.
What are the key properties of (3-fluorophenyl)-quinolin-2-ylmethanone?
(3-fluorophenyl)-quinolin-2-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-2-ylmethanone is sourced from PubChem (CID 45272615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).