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

C21H20ClNO2 — CID 11382643

IUPAC8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4ccc(Cl)cc4)ccc3N2CCC1=O
InChIInChI=1S/C21H20ClNO2/c1-14-19-8-4-16-12-18(25-13-15-2-5-17(22)6-3-15)7-9-20(16)23(19)11-10-21(14)24/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3
InChIKeyUFJDFUAZZPJKNZ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.92
Rot. Bonds3

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

8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 11382643) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID11382643
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(OCc4ccc(Cl)cc4)ccc3N2CCC1=O
InChIInChI=1S/C21H20ClNO2/c1-14-19-8-4-16-12-18(25-13-15-2-5-17(22)6-3-15)7-9-20(16)23(19)11-10-21(14)24/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3
InChIKeyUFJDFUAZZPJKNZ-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

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 11382643) is 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CCc3cc(OCc4ccc(Cl)cc4)ccc3N2CCC1=O.
What is the InChIKey of 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is UFJDFUAZZPJKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-14-19-8-4-16-12-18(25-13-15-2-5-17(22)6-3-15)7-9-20(16)23(19)11-10-21(14)24/h2-3,5-7,9,12H,4,8,10-11,13H2,1H3.
What are the key properties of 8-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
8-[(4-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-[(4-chlorophenyl)methoxy]-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 11382643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).