9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium

C18H25FNO+ — CID 163806951

IUPAC9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium
SMILESCOC1C=C[N+]2(C)C(C1)c1ccc(F)cc1C(C)C2(C)C
InChIInChI=1S/C18H25FNO/c1-12-16-10-13(19)6-7-15(16)17-11-14(21-5)8-9-20(17,4)18(12,2)3/h6-10,12,14,17H,11H2,1-5H3/q+1
InChIKeyVYGWFUSMKQGSIR-UHFFFAOYSA-N
MW290.40 g/mol
LogP4.14
Rot. Bonds1

About 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium

9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium (PubChem CID 163806951) has the molecular formula C18H25FNO+ and a molecular weight of 290.40 g/mol. Its IUPAC name is 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium.

Molecular Properties

Compound Name9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium
PubChem CID163806951
Molecular FormulaC18H25FNO+
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium
SMILESCOC1C=C[N+]2(C)C(C1)c1ccc(F)cc1C(C)C2(C)C
InChIInChI=1S/C18H25FNO/c1-12-16-10-13(19)6-7-15(16)17-11-14(21-5)8-9-20(17,4)18(12,2)3/h6-10,12,14,17H,11H2,1-5H3/q+1
InChIKeyVYGWFUSMKQGSIR-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium with MolForge

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Related Compounds

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CID 142130376
8-fluoro-2-(5-oxaspiro[3.5]nonan-2-yl)-3,4-dihydro-1H-isoquinoline
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(2S,4aS,7R,8aR)-3-benzyl-4,4,7-trimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine
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Lythran
CID 16686090
(2R,3R,11bR)-10-ethyl-2-(2-(18F)fluoroethoxy)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 57669052
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CID 57669062
(2R,3R,11bR)-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 59668615
(2R,3R,11bR)-3-(2-methylpropyl)spiro[1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,2'-oxirane]
CID 59668618
3-(2-Methylpropyl)spiro[1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2,2'-oxirane]
CID 59668631
3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
CID 59668634
1-[(3E,5Z,7Z,9Z)-3-methoxydodeca-1,3,5,7,9,11-hexaen-2-yl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 89125752

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium?
The IUPAC name of 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium (CID 163806951) is 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium.
What is the SMILES notation for 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium?
The canonical SMILES for 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium is COC1C=C[N+]2(C)C(C1)c1ccc(F)cc1C(C)C2(C)C.
What is the InChIKey of 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium?
The InChIKey is VYGWFUSMKQGSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FNO/c1-12-16-10-13(19)6-7-15(16)17-11-14(21-5)8-9-20(17,4)18(12,2)3/h6-10,12,14,17H,11H2,1-5H3/q+1.
What are the key properties of 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium?
9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium has a molecular weight of 290.40 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2-methoxy-5,6,6,7-tetramethyl-1,2,7,11b-tetrahydrobenzo[a]quinolizin-5-ium is sourced from PubChem (CID 163806951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).