3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one

C21H23NO — CID 162400407

IUPAC3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
SMILESCC1(C)CN2CCc3ccccc3C2(c2ccccc2)CC1=O
InChIInChI=1S/C21H23NO/c1-20(2)15-22-13-12-16-8-6-7-11-18(16)21(22,14-19(20)23)17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3
InChIKeyRHLVLWBABSXNBL-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.79
Rot. Bonds1

About 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one

3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one (PubChem CID 162400407) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
PubChem CID162400407
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
SMILESCC1(C)CN2CCc3ccccc3C2(c2ccccc2)CC1=O
InChIInChI=1S/C21H23NO/c1-20(2)15-22-13-12-16-8-6-7-11-18(16)21(22,14-19(20)23)17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3
InChIKeyRHLVLWBABSXNBL-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
The IUPAC name of 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one (CID 162400407) is 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one is CC1(C)CN2CCc3ccccc3C2(c2ccccc2)CC1=O.
What is the InChIKey of 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
The InChIKey is RHLVLWBABSXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-20(2)15-22-13-12-16-8-6-7-11-18(16)21(22,14-19(20)23)17-9-4-3-5-10-17/h3-11H,12-15H2,1-2H3.
What are the key properties of 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one?
3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one has a molecular weight of 305.42 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-11b-phenyl-1,4,6,7-tetrahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 162400407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).