(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one

C16H19NO3 — CID 933599

IUPAC(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H]1CC(=O)C=C(C)N1CC2
InChIInChI=1S/C16H19NO3/c1-10-6-12(18)8-14-13-9-16(20-3)15(19-2)7-11(13)4-5-17(10)14/h6-7,9,14H,4-5,8H2,1-3H3/t14-/m0/s1
InChIKeyQBFOWCZBFOTUBQ-AWEZNQCLSA-N
MW273.33 g/mol
LogP2.48
Rot. Bonds2

About (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one

(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one (PubChem CID 933599) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one
PubChem CID933599
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one
SMILESCOc1cc2c(cc1OC)[C@@H]1CC(=O)C=C(C)N1CC2
InChIInChI=1S/C16H19NO3/c1-10-6-12(18)8-14-13-9-16(20-3)15(19-2)7-11(13)4-5-17(10)14/h6-7,9,14H,4-5,8H2,1-3H3/t14-/m0/s1
InChIKeyQBFOWCZBFOTUBQ-AWEZNQCLSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,10-dimethoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizine-2,4-dione
CID 3379225
(11bS)-9,10-dimethoxy-3-methyl-1,2,6,7,11b,12-hexahydroisoquinolino[2,1-a]quinolin-13-one
CID 95560155
(13aR)-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 821470
11-hydroxy-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 44606417
(4R)-9,10-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4,6,7-tetrahydrobenzo[a]quinolizin-2-one
CID 7094083
(1R)-4,5-dimethoxy-15-methyl-10,14,15-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-2,4,6,12(16),13-pentaen-11-one
CID 1481776
(1S,11R)-4,5-dimethoxy-10,15-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6-trien-16-one
CID 10990303
13,14-dimethoxy-4,4-dimethyl-5-thia-1-azatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),11,13,15-tetraene-6,8-dione
CID 15895736
9-methoxy-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 91335996
2,10-dihydroxy-3,9,11-trimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 44606418
4-[(4-chlorophenyl)methyl]-9,10-dimethoxy-1,6,7,11b-tetrahydropyrimido[6,1-a]isoquinolin-2-one
CID 13171276
(1R,12S)-4,5-dimethoxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2,4,6,11(15)-tetraen-14-one
CID 7078071

Frequently Asked Questions

What is the IUPAC name of (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one?
The IUPAC name of (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one (CID 933599) is (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one is COc1cc2c(cc1OC)[C@@H]1CC(=O)C=C(C)N1CC2.
What is the InChIKey of (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one?
The InChIKey is QBFOWCZBFOTUBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-6-12(18)8-14-13-9-16(20-3)15(19-2)7-11(13)4-5-17(10)14/h6-7,9,14H,4-5,8H2,1-3H3/t14-/m0/s1.
What are the key properties of (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one?
(11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one has a molecular weight of 273.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11bS)-9,10-dimethoxy-4-methyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 933599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).