1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one

C17H14FNO2 — CID 57310508

IUPAC1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(-c3ccc(O)cc3)cc21
InChIInChI=1S/C17H14FNO2/c1-2-19-8-7-17(21)14-9-15(18)13(10-16(14)19)11-3-5-12(20)6-4-11/h3-10,20H,2H2,1H3
InChIKeyNGBLOMMAIKYVOT-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.53
Rot. Bonds2

About 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one

1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one (PubChem CID 57310508) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one
PubChem CID57310508
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one
SMILESCCn1ccc(=O)c2cc(F)c(-c3ccc(O)cc3)cc21
InChIInChI=1S/C17H14FNO2/c1-2-19-8-7-17(21)14-9-15(18)13(10-16(14)19)11-3-5-12(20)6-4-11/h3-10,20H,2H2,1H3
InChIKeyNGBLOMMAIKYVOT-UHFFFAOYSA-N
XLogP3.53
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one?
The IUPAC name of 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one (CID 57310508) is 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one.
What is the SMILES notation for 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one?
The canonical SMILES for 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one is CCn1ccc(=O)c2cc(F)c(-c3ccc(O)cc3)cc21.
What is the InChIKey of 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one?
The InChIKey is NGBLOMMAIKYVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-2-19-8-7-17(21)14-9-15(18)13(10-16(14)19)11-3-5-12(20)6-4-11/h3-10,20H,2H2,1H3.
What are the key properties of 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one?
1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one has a molecular weight of 283.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-7-(4-hydroxyphenyl)quinolin-4-one is sourced from PubChem (CID 57310508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).