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

C15H17NO — CID 10220187

IUPAC4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(C)ccc3N2CCC1=O
InChIInChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3
InChIKeySNEPAAKJPPNOQM-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.99
Rot. Bonds

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

4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 10220187) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID10220187
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CCc3cc(C)ccc3N2CCC1=O
InChIInChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3
InChIKeySNEPAAKJPPNOQM-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 10220187) is 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CCc3cc(C)ccc3N2CCC1=O.
What is the InChIKey of 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is SNEPAAKJPPNOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 227.31 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10220187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).