10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

C14H17NO2 — CID 23333695

IUPAC10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCOc1ccc2c(c1)C1CC(=O)CCN1CC2
InChIInChI=1S/C14H17NO2/c1-17-12-3-2-10-4-6-15-7-5-11(16)8-14(15)13(10)9-12/h2-3,9,14H,4-8H2,1H3
InChIKeyCWDMRBJKMSDRTB-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds1

About 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (PubChem CID 23333695) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
PubChem CID23333695
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCOc1ccc2c(c1)C1CC(=O)CCN1CC2
InChIInChI=1S/C14H17NO2/c1-17-12-3-2-10-4-6-15-7-5-11(16)8-14(15)13(10)9-12/h2-3,9,14H,4-8H2,1H3
InChIKeyCWDMRBJKMSDRTB-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 67568151
9-methoxy-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 91335996
(1R)-6,19-dimethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16(21),17,19-heptaene
CID 137467201
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)azetidine-3-carboxylic acid
CID 79368867
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butane-1,2-dione
CID 22375405
(1R)-7-methoxy-1-methyl-3,4-dihydro-1H-naphthalen-2-one
CID 86306624
(8aR,12aS,13aR)-2-methoxy-12-methylsulfonyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
CID 57131708
[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 79248149
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The IUPAC name of 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (CID 23333695) is 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is COc1ccc2c(c1)C1CC(=O)CCN1CC2.
What is the InChIKey of 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The InChIKey is CWDMRBJKMSDRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-12-3-2-10-4-6-15-7-5-11(16)8-14(15)13(10)9-12/h2-3,9,14H,4-8H2,1H3.
What are the key properties of 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 23333695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).