3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide

C25H30F3N3O2 — CID 11989469

IUPAC3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide
SMILESCN(C)CCC(=O)NCC1COC2c3cc(C(F)(F)F)ccc3NC(c3ccccc3)C2C1
InChIInChI=1S/C25H30F3N3O2/c1-31(2)11-10-22(32)29-14-16-12-20-23(17-6-4-3-5-7-17)30-21-9-8-18(25(26,27)28)13-19(21)24(20)33-15-16/h3-9,13,16,20,23-24,30H,10-12,14-15H2,1-2H3,(H,29,32)
InChIKeyCLFDTZYVWCQZHZ-UHFFFAOYSA-N
MW461.53 g/mol
LogP4.63
Rot. Bonds6

About 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide

3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide (PubChem CID 11989469) has the molecular formula C25H30F3N3O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide
PubChem CID11989469
Molecular FormulaC25H30F3N3O2
Molecular Weight461.53 g/mol
Exact Mass461.23
IUPAC Name3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide
SMILESCN(C)CCC(=O)NCC1COC2c3cc(C(F)(F)F)ccc3NC(c3ccccc3)C2C1
InChIInChI=1S/C25H30F3N3O2/c1-31(2)11-10-22(32)29-14-16-12-20-23(17-6-4-3-5-7-17)30-21-9-8-18(25(26,27)28)13-19(21)24(20)33-15-16/h3-9,13,16,20,23-24,30H,10-12,14-15H2,1-2H3,(H,29,32)
InChIKeyCLFDTZYVWCQZHZ-UHFFFAOYSA-N
XLogP4.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide with MolForge

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Launch Full Analysis

Related Compounds

Emd-534085
CID 23634407
5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 371501
9-Fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 6487063
(4aS,5R,10bS)-9-tert-butyl-5-(2-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11151953
(4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11163025
(4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11163393
(4aS,5R,10bS)-9-isopropyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11185891
(4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11300450
(4aS,5R,10bS)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11392225
2-((4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl)acetonitrile
CID 11472221
((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methanamine
CID 45789422
2-(dimethylamino)ethyl((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methylcarbamate
CID 46881539

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide (CID 11989469) is 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide is CN(C)CCC(=O)NCC1COC2c3cc(C(F)(F)F)ccc3NC(c3ccccc3)C2C1.
What is the InChIKey of 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide?
The InChIKey is CLFDTZYVWCQZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O2/c1-31(2)11-10-22(32)29-14-16-12-20-23(17-6-4-3-5-7-17)30-21-9-8-18(25(26,27)28)13-19(21)24(20)33-15-16/h3-9,13,16,20,23-24,30H,10-12,14-15H2,1-2H3,(H,29,32).
What are the key properties of 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide?
3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide has a molecular weight of 461.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-3-yl]methyl]propanamide is sourced from PubChem (CID 11989469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).