6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

C15H17NO — CID 10513499

IUPAC6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCc1ccc2c(c1)C(C)CC1=CC(=O)CCN12
InChIInChI=1S/C15H17NO/c1-10-3-4-15-14(7-10)11(2)8-12-9-13(17)5-6-16(12)15/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyJYYMPZBJCNUICS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.17
Rot. Bonds

About 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one

6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 10513499) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID10513499
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCc1ccc2c(c1)C(C)CC1=CC(=O)CCN12
InChIInChI=1S/C15H17NO/c1-10-3-4-15-14(7-10)11(2)8-12-9-13(17)5-6-16(12)15/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKeyJYYMPZBJCNUICS-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 10513499) is 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is Cc1ccc2c(c1)C(C)CC1=CC(=O)CCN12.
What is the InChIKey of 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is JYYMPZBJCNUICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-3-4-15-14(7-10)11(2)8-12-9-13(17)5-6-16(12)15/h3-4,7,9,11H,5-6,8H2,1-2H3.
What are the key properties of 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 227.31 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10513499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).