2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one

C21H20FNO3 — CID 4909570

IUPAC2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OC)C1=CC(c3ccc(F)cc3)CC(=O)N1CC2
InChIInChI=1S/C21H20FNO3/c1-25-19-10-14-7-8-23-18(17(14)12-20(19)26-2)9-15(11-21(23)24)13-3-5-16(22)6-4-13/h3-6,9-10,12,15H,7-8,11H2,1-2H3
InChIKeyBAOWRBFHLLTSHP-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one

2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one (PubChem CID 4909570) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one
PubChem CID4909570
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one
SMILESCOc1cc2c(cc1OC)C1=CC(c3ccc(F)cc3)CC(=O)N1CC2
InChIInChI=1S/C21H20FNO3/c1-25-19-10-14-7-8-23-18(17(14)12-20(19)26-2)9-15(11-21(23)24)13-3-5-16(22)6-4-13/h3-6,9-10,12,15H,7-8,11H2,1-2H3
InChIKeyBAOWRBFHLLTSHP-UHFFFAOYSA-N
XLogP3.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-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

[(1S)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155551693
(13S)-9,10-dimethoxy-3,3-dimethyl-13-phenyl-4,6,7,13-tetrahydro-2H-isoquinolino[2,1-a]quinolin-1-one
CID 7678692
3-[[(1R)-1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]propanoic acid
CID 40640753
2-[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetonitrile
CID 11529933
(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
CID 7094083
2-[(4-fluorophenyl)methylamino]-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 2031880
(3R)-3-[(1S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 1378154
(3R,7aS)-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
CID 71686322
(4R)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-fluorophenyl)pyrrolidin-2-one
CID 38409779
dimethyl 10,11-dimethoxy-2-(4-methylphenyl)spiro[7,8-dihydro-2H-azepino[2,1-a]isoquinoline-3,9'-fluorene]-4,5-dicarboxylate
CID 10651424
(1'R,2S)-8,9-dimethoxy-3-oxospiro[5,6-dihydropyrrolo[2,1-a]isoquinoline-2,2'-cyclohexane]-1'-carboxylic acid
CID 139038332
1-(4-fluorophenyl)-2-hexyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 11696400

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one (CID 4909570) is 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one is COc1cc2c(cc1OC)C1=CC(c3ccc(F)cc3)CC(=O)N1CC2.
What is the InChIKey of 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
The InChIKey is BAOWRBFHLLTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-25-19-10-14-7-8-23-18(17(14)12-20(19)26-2)9-15(11-21(23)24)13-3-5-16(22)6-4-13/h3-6,9-10,12,15H,7-8,11H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one has a molecular weight of 353.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-9,10-dimethoxy-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 4909570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).