2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one

C18H16FNO4 — CID 10806224

IUPAC2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one
SMILESCOc1cc(OC)c2c(=O)c(OC)c(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C18H16FNO4/c1-22-12-8-13-15(14(9-12)23-2)17(21)18(24-3)16(20-13)10-4-6-11(19)7-5-10/h4-9H,1-3H3,(H,20,21)
InChIKeyCIAQDIDLBCEEND-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one

2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one (PubChem CID 10806224) has the molecular formula C18H16FNO4 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one
PubChem CID10806224
Molecular FormulaC18H16FNO4
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one
SMILESCOc1cc(OC)c2c(=O)c(OC)c(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C18H16FNO4/c1-22-12-8-13-15(14(9-12)23-2)17(21)18(24-3)16(20-13)10-4-6-11(19)7-5-10/h4-9H,1-3H3,(H,20,21)
InChIKeyCIAQDIDLBCEEND-UHFFFAOYSA-N
XLogP3.36
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-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

Related Compounds

ethyl 4-(3,5,7-trimethoxy-4-oxo-1H-quinolin-2-yl)benzoate
CID 10833824
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
CID 12803228
5,7-dimethoxy-4-phenyl-1H-quinolin-2-one
CID 91614117
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
1-(2,4-dimethoxyphenyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]urea
CID 53114241
1,3-dimethoxy-5-phenyl-7H-benzo[c]carbazole
CID 177416834
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
2-(4-hydroxyphenyl)-3,5,7-trimethoxychromen-4-one
CID 14414499
(3,4,5-trimethoxyphenyl) 5,7-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 137470476
2-(4-fluorophenyl)-5,7-dimethoxychromene-4-thione
CID 154714196
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
6-fluoro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850823

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one (CID 10806224) is 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one is COc1cc(OC)c2c(=O)c(OC)c(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one?
The InChIKey is CIAQDIDLBCEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4/c1-22-12-8-13-15(14(9-12)23-2)17(21)18(24-3)16(20-13)10-4-6-11(19)7-5-10/h4-9H,1-3H3,(H,20,21).
What are the key properties of 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one?
2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one has a molecular weight of 329.33 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3,5,7-trimethoxy-1H-quinolin-4-one is sourced from PubChem (CID 10806224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).