1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline

C28H37F3N2O — CID 139243638

IUPAC1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2cc(C3c4ccccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C28H37F3N2O/c1-17-24(20-11-9-10-12-22(20)32(7)26(17,3)4)19-13-14-23-21(15-19)25(34-16-28(29,30)31)18(2)27(5,6)33(23)8/h9-15,17-18,24-25H,16H2,1-8H3
InChIKeyJFXAOWDDFWSJIK-UHFFFAOYSA-N
MW474.61 g/mol
LogP7.17
Rot. Bonds3

About 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline

1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline (PubChem CID 139243638) has the molecular formula C28H37F3N2O and a molecular weight of 474.61 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline
PubChem CID139243638
Molecular FormulaC28H37F3N2O
Molecular Weight474.61 g/mol
Exact Mass474.29
IUPAC Name1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2cc(C3c4ccccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C28H37F3N2O/c1-17-24(20-11-9-10-12-22(20)32(7)26(17,3)4)19-13-14-23-21(15-19)25(34-16-28(29,30)31)18(2)27(5,6)33(23)8/h9-15,17-18,24-25H,16H2,1-8H3
InChIKeyJFXAOWDDFWSJIK-UHFFFAOYSA-N
XLogP7.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline with MolForge

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Related Compounds

(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
6-(3-Fluorophenyl)-2,4,4-trimethyl-1,4-dihydro-2H-3,1-benzoxazine
CID 23435595
((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
1-((2R,4aS,5R,10bS)-5-(4-fluorophenyl)-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)-N-methylmethanamine
CID 46881627
1-((2R,4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)-N-methylmethanamine
CID 46881628
(4aS,5R,10bS)-5-phenyl-9-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 46881841
(4aS,5R,10bS)-9-tert-butyl-5-(4-fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 46882089

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
The IUPAC name of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline (CID 139243638) is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline.
What is the SMILES notation for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
The canonical SMILES for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline is CC1C(OCC(F)(F)F)c2cc(C3c4ccccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
The InChIKey is JFXAOWDDFWSJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F3N2O/c1-17-24(20-11-9-10-12-22(20)32(7)26(17,3)4)19-13-14-23-21(15-19)25(34-16-28(29,30)31)18(2)27(5,6)33(23)8/h9-15,17-18,24-25H,16H2,1-8H3.
What are the key properties of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline?
1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline has a molecular weight of 474.61 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinoline is sourced from PubChem (CID 139243638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).