(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

C14H17NO2 — CID 67568151

IUPAC(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCOc1ccc2c(c1)CCN1CCC(=O)C[C@@H]21
InChIInChI=1S/C14H17NO2/c1-17-12-2-3-13-10(8-12)4-6-15-7-5-11(16)9-14(13)15/h2-3,8,14H,4-7,9H2,1H3/t14-/m0/s1
InChIKeySEGRMUZTZOPNAI-AWEZNQCLSA-N
MW231.30 g/mol
LogP1.96
Rot. Bonds1

About (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (PubChem CID 67568151) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
PubChem CID67568151
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCOc1ccc2c(c1)CCN1CCC(=O)C[C@@H]21
InChIInChI=1S/C14H17NO2/c1-17-12-2-3-13-10(8-12)4-6-15-7-5-11(16)9-14(13)15/h2-3,8,14H,4-7,9H2,1H3/t14-/m0/s1
InChIKeySEGRMUZTZOPNAI-AWEZNQCLSA-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 (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one with MolForge

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Related Compounds

10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
9-methoxy-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 91335996
(2R,11bS)-9-methoxy-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 67567262
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
N-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylethanesulfonamide;hydrochloride
CID 67568383
5-methoxy-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-16-one
CID 23262749
3-[[(2R,11bS)-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 71112597
N-(9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)-N-methylpropane-1-sulfonamide
CID 67568380
11-(benzenesulfonyl)-3-methoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 145042418
(1S,11S,15R)-5-methoxy-15-methyl-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5-trien-14-one
CID 10446656
2-(3-bromopropylamino)-9-methoxy-1,6,7,11b-tetrahydrobenzo[a]quinolizin-4-one
CID 10021730
(1S,12R)-5-methoxy-12-methyl-13-oxa-10-azatetracyclo[8.7.0.02,7.011,15]heptadeca-2(7),3,5,11(15)-tetraene-14,16-dione
CID 933517

Frequently Asked Questions

What is the IUPAC name of (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The IUPAC name of (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (CID 67568151) is (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is COc1ccc2c(c1)CCN1CCC(=O)C[C@@H]21.
What is the InChIKey of (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The InChIKey is SEGRMUZTZOPNAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17NO2/c1-17-12-2-3-13-10(8-12)4-6-15-7-5-11(16)9-14(13)15/h2-3,8,14H,4-7,9H2,1H3/t14-/m0/s1.
What are the key properties of (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
(11bS)-9-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 (11bS)-9-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 67568151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).