2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone

C17H14FNO — CID 54252715

IUPAC2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone
SMILESO=C(CC1(F)CC=Nc2ccccc21)c1ccccc1
InChIInChI=1S/C17H14FNO/c18-17(12-16(20)13-6-2-1-3-7-13)10-11-19-15-9-5-4-8-14(15)17/h1-9,11H,10,12H2
InChIKeyQXXCQFGWTMJHCV-UHFFFAOYSA-N
MW267.30 g/mol
LogP4.23
Rot. Bonds3

About 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone

2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone (PubChem CID 54252715) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone
PubChem CID54252715
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone
SMILESO=C(CC1(F)CC=Nc2ccccc21)c1ccccc1
InChIInChI=1S/C17H14FNO/c18-17(12-16(20)13-6-2-1-3-7-13)10-11-19-15-9-5-4-8-14(15)17/h1-9,11H,10,12H2
InChIKeyQXXCQFGWTMJHCV-UHFFFAOYSA-N
XLogP4.23
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone?
The IUPAC name of 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone (CID 54252715) is 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone is O=C(CC1(F)CC=Nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone?
The InChIKey is QXXCQFGWTMJHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c18-17(12-16(20)13-6-2-1-3-7-13)10-11-19-15-9-5-4-8-14(15)17/h1-9,11H,10,12H2.
What are the key properties of 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone?
2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone has a molecular weight of 267.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3H-quinolin-4-yl)-1-phenylethanone is sourced from PubChem (CID 54252715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).