1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

C17H27NO — CID 22282098

IUPAC1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=CC(=O)CC2C(C)C(C)C3CC(C)CCC3N12
InChIInChI=1S/C17H27NO/c1-10-5-6-16-15(7-10)12(3)13(4)17-9-14(19)8-11(2)18(16)17/h8,10,12-13,15-17H,5-7,9H2,1-4H3
InChIKeyWDCLKRLRVRKTBA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.62
Rot. Bonds

About 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one

1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (PubChem CID 22282098) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.

Molecular Properties

Compound Name1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
PubChem CID22282098
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one
SMILESCC1=CC(=O)CC2C(C)C(C)C3CC(C)CCC3N12
InChIInChI=1S/C17H27NO/c1-10-5-6-16-15(7-10)12(3)13(4)17-9-14(19)8-11(2)18(16)17/h8,10,12-13,15-17H,5-7,9H2,1-4H3
InChIKeyWDCLKRLRVRKTBA-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The IUPAC name of 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one (CID 22282098) is 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one.
What is the SMILES notation for 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The canonical SMILES for 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is CC1=CC(=O)CC2C(C)C(C)C3CC(C)CCC3N12.
What is the InChIKey of 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
The InChIKey is WDCLKRLRVRKTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-10-5-6-16-15(7-10)12(3)13(4)17-9-14(19)8-11(2)18(16)17/h8,10,12-13,15-17H,5-7,9H2,1-4H3.
What are the key properties of 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one?
1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one has a molecular weight of 261.41 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,8-tetramethyl-4,4a,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]quinolizin-3-one is sourced from PubChem (CID 22282098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).