9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

C22H25F3N2O4 — CID 118609785

IUPAC9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOCc1cc2c(cc1OCC(F)(F)F)-c1cc(NCC3CCCO3)cc(=O)n1CC2
InChIInChI=1S/C22H25F3N2O4/c1-29-12-15-7-14-4-5-27-19(18(14)10-20(15)31-13-22(23,24)25)8-16(9-21(27)28)26-11-17-3-2-6-30-17/h7-10,17,26H,2-6,11-13H2,1H3
InChIKeyGIULLGBBVRAWSH-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.75
Rot. Bonds7

About 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one

9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (PubChem CID 118609785) has the molecular formula C22H25F3N2O4 and a molecular weight of 438.45 g/mol. Its IUPAC name is 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
PubChem CID118609785
Molecular FormulaC22H25F3N2O4
Molecular Weight438.45 g/mol
Exact Mass438.18
IUPAC Name9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
SMILESCOCc1cc2c(cc1OCC(F)(F)F)-c1cc(NCC3CCCO3)cc(=O)n1CC2
InChIInChI=1S/C22H25F3N2O4/c1-29-12-15-7-14-4-5-27-19(18(14)10-20(15)31-13-22(23,24)25)8-16(9-21(27)28)26-11-17-3-2-6-30-17/h7-10,17,26H,2-6,11-13H2,1H3
InChIKeyGIULLGBBVRAWSH-UHFFFAOYSA-N
XLogP3.75
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(2,2-difluoroethoxy)-9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609797
9-(2,2-difluoroethoxy)-10-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609845
8,9-dimethoxy-2-(oxolan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118615118
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 82833696
1-methyl-2-(oxolan-2-ylmethylamino)-10-(sulfanylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 144982871
8,11-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609752
9-hydroxy-1-methyl-4-(oxan-2-ylmethylamino)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122650468
4-bromo-3-methoxy-N-(oxolan-2-ylmethyl)aniline
CID 82858458
3-bromo-5-(oxolan-2-ylmethylamino)benzoic acid
CID 102822430
4-N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43115523
4-chloro-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 43082564
4-ethoxy-3-(methoxymethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 133254195

Frequently Asked Questions

What is the IUPAC name of 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The IUPAC name of 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one (CID 118609785) is 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is COCc1cc2c(cc1OCC(F)(F)F)-c1cc(NCC3CCCO3)cc(=O)n1CC2.
What is the InChIKey of 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
The InChIKey is GIULLGBBVRAWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4/c1-29-12-15-7-14-4-5-27-19(18(14)10-20(15)31-13-22(23,24)25)8-16(9-21(27)28)26-11-17-3-2-6-30-17/h7-10,17,26H,2-6,11-13H2,1H3.
What are the key properties of 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one?
9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one has a molecular weight of 438.45 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-2-(oxolan-2-ylmethylamino)-10-(2,2,2-trifluoroethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 118609785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).