8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

C21H22FNO3 — CID 177340064

IUPAC8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCOc1cc2c(c(F)c1OCc1ccccc1)CCN1CCC(=O)CC21
InChIInChI=1S/C21H22FNO3/c1-25-19-12-17-16(8-10-23-9-7-15(24)11-18(17)23)20(22)21(19)26-13-14-5-3-2-4-6-14/h2-6,12,18H,7-11,13H2,1H3
InChIKeyANQGPFUTSDFMCN-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.68
Rot. Bonds4

About 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (PubChem CID 177340064) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
PubChem CID177340064
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
SMILESCOc1cc2c(c(F)c1OCc1ccccc1)CCN1CCC(=O)CC21
InChIInChI=1S/C21H22FNO3/c1-25-19-12-17-16(8-10-23-9-7-15(24)11-18(17)23)20(22)21(19)26-13-14-5-3-2-4-6-14/h2-6,12,18H,7-11,13H2,1H3
InChIKeyANQGPFUTSDFMCN-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one with MolForge

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Related Compounds

3,9-dimethoxy-2,10-bis(phenylmethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 14011128
3,9-dimethoxy-12-methyl-2,10-bis(phenylmethoxy)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 143619099
(12-chloro-3,10-dimethoxy-2-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-9-yl) benzoate
CID 68952336
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
N-(2,3-dihydro-1H-inden-1-yl)-3,5-dimethoxy-N-methyl-4-phenylmethoxybenzamide
CID 55534185
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695
(5-fluoro-3-methoxy-2-phenylmethoxyphenyl)boronic acid
CID 164896021
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
10-(benzenesulfonyl)-6,19-dimethoxy-18-phenylmethoxy-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaene
CID 131978706
(13aR)-3,11-dimethoxy-2-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-10-ol
CID 129027030
9-methoxy-10-methyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 91335996
3,5-dimethoxy-4-phenylmethoxybenzoic acid;3,5-dimethoxy-4-phenylmethoxybenzoyl chloride
CID 159259540

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The IUPAC name of 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one (CID 177340064) is 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is COc1cc2c(c(F)c1OCc1ccccc1)CCN1CCC(=O)CC21.
What is the InChIKey of 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
The InChIKey is ANQGPFUTSDFMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-25-19-12-17-16(8-10-23-9-7-15(24)11-18(17)23)20(22)21(19)26-13-14-5-3-2-4-6-14/h2-6,12,18H,7-11,13H2,1H3.
What are the key properties of 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one?
8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one has a molecular weight of 355.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 177340064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).