3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

C20H29NO3 — CID 69034785

IUPAC3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCCCCC1CN2C(C)Cc3cc(OC)c(OC)cc3C2CC1=O
InChIInChI=1S/C20H29NO3/c1-5-6-7-14-12-21-13(2)8-15-9-19(23-3)20(24-4)10-16(15)17(21)11-18(14)22/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyYGFRJZONWIIUAK-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.77
Rot. Bonds5

About 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (PubChem CID 69034785) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
PubChem CID69034785
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCCCCC1CN2C(C)Cc3cc(OC)c(OC)cc3C2CC1=O
InChIInChI=1S/C20H29NO3/c1-5-6-7-14-12-21-13(2)8-15-9-19(23-3)20(24-4)10-16(15)17(21)11-18(14)22/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyYGFRJZONWIIUAK-UHFFFAOYSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one with MolForge

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Related Compounds

(3R,11bR)-3-(4-fluorobutyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 140537310
(7S)-3,4-dimethoxy-7-propylbicyclo[4.2.0]octa-1,3,5-triene
CID 147197844
(3S,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 7059638
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;hydrochloride
CID 18913474
9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one;ethane
CID 143088515
(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
(3R,11bR)-3-[6-[hydroxy(diphenyl)silyl]-6-methylheptyl]-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 70667437
3-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]propan-1-amine
CID 68972528
(1S,9S)-4,5,12,13-tetramethoxy-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-17-carbaldehyde
CID 11793456
3,9,12-trimethoxy-6-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinolin-2-ol
CID 78011377
9,10-diethoxy-3-ethyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 22753163

Frequently Asked Questions

What is the IUPAC name of 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The IUPAC name of 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (CID 69034785) is 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is CCCCC1CN2C(C)Cc3cc(OC)c(OC)cc3C2CC1=O.
What is the InChIKey of 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The InChIKey is YGFRJZONWIIUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-5-6-7-14-12-21-13(2)8-15-9-19(23-3)20(24-4)10-16(15)17(21)11-18(14)22/h9-10,13-14,17H,5-8,11-12H2,1-4H3.
What are the key properties of 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one has a molecular weight of 331.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-9,10-dimethoxy-6-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 69034785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).