9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol

C20H27NO3 — CID 78011326

IUPAC9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol
SMILESCOC(C)=CC1=C(C)CN2C(C)Cc3cc(OC)c(O)cc3C2C1
InChIInChI=1S/C20H27NO3/c1-12-11-21-13(2)6-16-9-20(24-5)19(22)10-17(16)18(21)8-15(12)7-14(3)23-4/h7,9-10,13,18,22H,6,8,11H2,1-5H3
InChIKeyGNPOKPAPWSVXLW-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.96
Rot. Bonds3

About 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol

9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol (PubChem CID 78011326) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol.

Molecular Properties

Compound Name9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol
PubChem CID78011326
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol
SMILESCOC(C)=CC1=C(C)CN2C(C)Cc3cc(OC)c(O)cc3C2C1
InChIInChI=1S/C20H27NO3/c1-12-11-21-13(2)6-16-9-20(24-5)19(22)10-17(16)18(21)8-15(12)7-14(3)23-4/h7,9-10,13,18,22H,6,8,11H2,1-5H3
InChIKeyGNPOKPAPWSVXLW-UHFFFAOYSA-N
XLogP3.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxy-3-methoxybut-2-en-2-yl)-9-methoxy-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol
CID 78011333
3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 78011377
(6R,13aS)-3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 71109992
2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine
CID 71110300
(8R,13aS)-3-methoxy-8-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
CID 639024
(6R)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
CID 90073500
(6S)-2,3,9,10-tetramethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline
CID 90073371
(13aS)-11-methoxy-3-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
CID 118477563
(13aS)-3-methoxy-9,11-dimethyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-2-ol
CID 70692656
(1R,12R)-16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol
CID 3082467
(1S,12S)-16-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-15-ol
CID 44575219
(3,9,11-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-12-yl)methanol
CID 78011332

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol?
The IUPAC name of 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol (CID 78011326) is 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol.
What is the SMILES notation for 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol?
The canonical SMILES for 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol is COC(C)=CC1=C(C)CN2C(C)Cc3cc(OC)c(O)cc3C2C1.
What is the InChIKey of 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol?
The InChIKey is GNPOKPAPWSVXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-12-11-21-13(2)6-16-9-20(24-5)19(22)10-17(16)18(21)8-15(12)7-14(3)23-4/h7,9-10,13,18,22H,6,8,11H2,1-5H3.
What are the key properties of 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol?
9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol has a molecular weight of 329.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-(2-methoxyprop-1-enyl)-3,6-dimethyl-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizin-10-ol is sourced from PubChem (CID 78011326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).