3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide

C78H96F9N9O6 — CID 159149379

IUPAC3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide
SMILESCN(C)CCNC(=O)CC[C@H]1CCC2C(c3ccccc3)Nc3ccc(C(F)(F)F)cc3C2O1.CN(C)CCNC(=O)CC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCNC(=O)CC[C@H]1CC[C@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@H]2O1
InChIInChI=1S/3C26H32F3N3O2/c3*1-32(2)15-14-30-23(33)13-10-19-9-11-20-24(17-6-4-3-5-7-17)31-22-12-8-18(26(27,28)29)16-21(22)25(20)34-19/h3*3-8,12,16,19-20,24-25,31H,9-11,13-15H2,1-2H3,(H,30,33)/t19-,20?,24?,25?;19-,20+,24+,25+;19-,20+,24-,25+/m111/s1
InChIKeyKJBVRJPSZPXMPS-SPDSNSTDSA-N
MW1426.66 g/mol
LogP15.50
Rot. Bonds21

About 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide

3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide (PubChem CID 159149379) has the molecular formula C78H96F9N9O6 and a molecular weight of 1426.66 g/mol. Its IUPAC name is 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide.

Molecular Properties

Compound Name3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide
PubChem CID159149379
Molecular FormulaC78H96F9N9O6
Molecular Weight1426.66 g/mol
Exact Mass1425.73
IUPAC Name3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide
SMILESCN(C)CCNC(=O)CC[C@H]1CCC2C(c3ccccc3)Nc3ccc(C(F)(F)F)cc3C2O1.CN(C)CCNC(=O)CC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCNC(=O)CC[C@H]1CC[C@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@H]2O1
InChIInChI=1S/3C26H32F3N3O2/c3*1-32(2)15-14-30-23(33)13-10-19-9-11-20-24(17-6-4-3-5-7-17)31-22-12-8-18(26(27,28)29)16-21(22)25(20)34-19/h3*3-8,12,16,19-20,24-25,31H,9-11,13-15H2,1-2H3,(H,30,33)/t19-,20?,24?,25?;19-,20+,24+,25+;19-,20+,24-,25+/m111/s1
InChIKeyKJBVRJPSZPXMPS-SPDSNSTDSA-N
XLogP15.50
TPSA160.80 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001426.66
LogP ≤ 515.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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

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Related Compounds

N-(2-aminoethyl)-4-methyl-N-(((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)benzamide
CID 46881582
N-[2-(dimethylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-3-carboxamide
CID 11989579
2-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 11990038
4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazin-2-one
CID 58956435
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-(4-aminobutyl)-4-methylbenzamide
CID 58956457
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-(3-aminopropyl)-2-phenylacetamide
CID 58956467
2-[4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 58956551
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-(2-aminoethyl)-2-phenylacetamide
CID 58956579
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-N-(4-aminobutyl)-2-phenylacetamide
CID 58956627
2-[4-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 58956663
N-[1-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperidin-4-yl]acetamide
CID 58956675
(4aS,5R,10bS)-N-[2-(dimethylamino)ethyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline-2-carboxamide
CID 58956774

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide?
The IUPAC name of 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide (CID 159149379) is 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide.
What is the SMILES notation for 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide?
The canonical SMILES for 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide is CN(C)CCNC(=O)CC[C@H]1CCC2C(c3ccccc3)Nc3ccc(C(F)(F)F)cc3C2O1.CN(C)CCNC(=O)CC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCNC(=O)CC[C@H]1CC[C@H]2[C@@H](c3ccccc3)Nc3ccc(C(F)(F)F)cc3[C@H]2O1.
What is the InChIKey of 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide?
The InChIKey is KJBVRJPSZPXMPS-SPDSNSTDSA-N. The full InChI is InChI=1S/3C26H32F3N3O2/c3*1-32(2)15-14-30-23(33)13-10-19-9-11-20-24(17-6-4-3-5-7-17)31-22-12-8-18(26(27,28)29)16-21(22)25(20)34-19/h3*3-8,12,16,19-20,24-25,31H,9-11,13-15H2,1-2H3,(H,30,33)/t19-,20?,24?,25?;19-,20+,24+,25+;19-,20+,24-,25+/m111/s1.
What are the key properties of 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide?
3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide has a molecular weight of 1426.66 g/mol, XLogP of 15.50, 21 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;3-[(2R,4aS,5S,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]-N-[2-(dimethylamino)ethyl]propanamide;N-[2-(dimethylamino)ethyl]-3-[(2R)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]propanamide is sourced from PubChem (CID 159149379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).