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

C15H17NO2 — CID 11160874

IUPAC8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCOc1ccc2c(c1)CCC1=C(C)C(=O)CCN12
InChIInChI=1S/C15H17NO2/c1-10-13-5-3-11-9-12(18-2)4-6-14(11)16(13)8-7-15(10)17/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyQIIKIKZTZRTDQO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.69
Rot. Bonds1

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

8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 11160874) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID11160874
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCOc1ccc2c(c1)CCC1=C(C)C(=O)CCN12
InChIInChI=1S/C15H17NO2/c1-10-13-5-3-11-9-12(18-2)4-6-14(11)16(13)8-7-15(10)17/h4,6,9H,3,5,7-8H2,1-2H3
InChIKeyQIIKIKZTZRTDQO-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 11160874) is 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is COc1ccc2c(c1)CCC1=C(C)C(=O)CCN12.
What is the InChIKey of 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is QIIKIKZTZRTDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-13-5-3-11-9-12(18-2)4-6-14(11)16(13)8-7-15(10)17/h4,6,9H,3,5,7-8H2,1-2H3.
What are the key properties of 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 243.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 11160874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).