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

C16H19NO — CID 10514266

IUPAC4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CC(C)c3cc(C)ccc3N2CCC1=O
InChIInChI=1S/C16H19NO/c1-10-4-5-14-13(8-10)11(2)9-15-12(3)16(18)6-7-17(14)15/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyVJNBCORATKDAPO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.56
Rot. Bonds

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

4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (PubChem CID 10514266) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
PubChem CID10514266
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
SMILESCC1=C2CC(C)c3cc(C)ccc3N2CCC1=O
InChIInChI=1S/C16H19NO/c1-10-4-5-14-13(8-10)11(2)9-15-12(3)16(18)6-7-17(14)15/h4-5,8,11H,6-7,9H2,1-3H3
InChIKeyVJNBCORATKDAPO-UHFFFAOYSA-N
XLogP3.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one (CID 10514266) is 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is CC1=C2CC(C)c3cc(C)ccc3N2CCC1=O.
What is the InChIKey of 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
The InChIKey is VJNBCORATKDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-4-5-14-13(8-10)11(2)9-15-12(3)16(18)6-7-17(14)15/h4-5,8,11H,6-7,9H2,1-3H3.
What are the key properties of 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one?
4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one has a molecular weight of 241.33 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 10514266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).