8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

C21H20ClNO2 — CID 11382644

IUPAC8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4cccc(Cl)c4)ccc3N2CCC1=O
InChIInChI=1S/C21H20ClNO2/c1-14-19-7-5-16-12-18(25-13-15-3-2-4-17(22)11-15)6-8-20(16)23(19)10-9-21(14)24/h2-4,6,8,11-12H,5,7,9-10,13H2,1H3
InChIKeyUEQYRWZSGCCNFX-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.92
Rot. Bonds3

About 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 11382644) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID11382644
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4cccc(Cl)c4)ccc3N2CCC1=O
InChIInChI=1S/C21H20ClNO2/c1-14-19-7-5-16-12-18(25-13-15-3-2-4-17(22)11-15)6-8-20(16)23(19)10-9-21(14)24/h2-4,6,8,11-12H,5,7,9-10,13H2,1H3
InChIKeyUEQYRWZSGCCNFX-UHFFFAOYSA-N
XLogP4.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-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 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 11382644) is 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CCc3cc(OCc4cccc(Cl)c4)ccc3N2CCC1=O.
What is the InChIKey of 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is UEQYRWZSGCCNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-14-19-7-5-16-12-18(25-13-15-3-2-4-17(22)11-15)6-8-20(16)23(19)10-9-21(14)24/h2-4,6,8,11-12H,5,7,9-10,13H2,1H3.
What are the key properties of 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 353.85 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 11382644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).