(11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one

C17H19NO — CID 7055646

IUPAC(11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one
SMILESCc1c(C)c(C)c2c(c1C)C[C@H]1C=CC=CN1C2=O
InChIInChI=1S/C17H19NO/c1-10-11(2)13(4)16-15(12(10)3)9-14-7-5-6-8-18(14)17(16)19/h5-8,14H,9H2,1-4H3/t14-/m1/s1
InChIKeyBWKCFSRDPBTKJR-CQSZACIVSA-N
MW253.34 g/mol
LogP3.37
Rot. Bonds

About (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one

(11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one (PubChem CID 7055646) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one.

Molecular Properties

Compound Name(11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one
PubChem CID7055646
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name(11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one
SMILESCc1c(C)c(C)c2c(c1C)C[C@H]1C=CC=CN1C2=O
InChIInChI=1S/C17H19NO/c1-10-11(2)13(4)16-15(12(10)3)9-14-7-5-6-8-18(14)17(16)19/h5-8,14H,9H2,1-4H3/t14-/m1/s1
InChIKeyBWKCFSRDPBTKJR-CQSZACIVSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1,8a-dihydroindolizine
CID 91276600
3,9a-dihydro-2H-pyrido[1,2-d][1,2,4]triazine-1,4-dione
CID 142258519
4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylic acid
CID 2752927
(1R)-4,5,6,7-tetramethyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 7055766
9aH-quinolizine-1,4-dione
CID 23507772
4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 14764684
4,5,6,7-tetramethyl-2,3-dihydroisoindol-1-one
CID 21365387
1-[(1S)-cyclohexa-2,4-dien-1-yl]-2,4-dimethyl-1,2,4-triazolidine-3,5-dione
CID 163304623
2,3,4,6a-tetrahydro-1H-pyrido[2,1-c][1,4]benzodiazepin-12-one
CID 158449549
(3R)-3-amino-1-methyl-3H-azepin-2-one
CID 162732977
1,2,5,6,7,8-hexamethyl-2,3-dihydroquinolin-4-one
CID 18713485
1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-4-oxo-1,9a-dihydroquinolizine-3-carboxylic acid
CID 141114372

Frequently Asked Questions

What is the IUPAC name of (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one?
The IUPAC name of (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one (CID 7055646) is (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one.
What is the SMILES notation for (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one?
The canonical SMILES for (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one is Cc1c(C)c(C)c2c(c1C)C[C@H]1C=CC=CN1C2=O.
What is the InChIKey of (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one?
The InChIKey is BWKCFSRDPBTKJR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO/c1-10-11(2)13(4)16-15(12(10)3)9-14-7-5-6-8-18(14)17(16)19/h5-8,14H,9H2,1-4H3/t14-/m1/s1.
What are the key properties of (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one?
(11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one has a molecular weight of 253.34 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11aS)-7,8,9,10-tetramethyl-11,11a-dihydrobenzo[b]quinolizin-6-one is sourced from PubChem (CID 7055646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).