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

C41H54F3N3O — CID 139243646

IUPAC1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6ccccc6N(C)C(C)(C)C5C)ccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C41H54F3N3O/c1-24-35(29-15-13-14-16-32(29)45(10)38(24,4)5)27-17-19-33-30(21-27)36(25(2)39(6,7)46(33)11)28-18-20-34-31(22-28)37(48-23-41(42,43)44)26(3)40(8,9)47(34)12/h13-22,24-26,35-37H,23H2,1-12H3
InChIKeyOYXFCLAMSAIPJZ-UHFFFAOYSA-N
MW661.90 g/mol
LogP10.16
Rot. Bonds4

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

1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (PubChem CID 139243646) has the molecular formula C41H54F3N3O and a molecular weight of 661.90 g/mol. Its IUPAC name is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline.

Molecular Properties

Compound Name1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
PubChem CID139243646
Molecular FormulaC41H54F3N3O
Molecular Weight661.90 g/mol
Exact Mass661.42
IUPAC Name1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
SMILESCC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6ccccc6N(C)C(C)(C)C5C)ccc4N(C)C(C)(C)C3C)ccc2N(C)C1(C)C
InChIInChI=1S/C41H54F3N3O/c1-24-35(29-15-13-14-16-32(29)45(10)38(24,4)5)27-17-19-33-30(21-27)36(25(2)39(6,7)46(33)11)28-18-20-34-31(22-28)37(48-23-41(42,43)44)26(3)40(8,9)47(34)12/h13-22,24-26,35-37H,23H2,1-12H3
InChIKeyOYXFCLAMSAIPJZ-UHFFFAOYSA-N
XLogP10.16
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.90
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(6R)-6-phenyl-6-(trifluoromethyl)-4bH-isoquinolino[2,1-a][3,1]benzoxazine
CID 102530618
4-Trifluoroethoxy-1,2,2,3-tetramethyl-1,2,3,4-tetrahydroquinoline
CID 139243632
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
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243648
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243650
1,2,2,3-Tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243652
1,2,2,3,6-Pentamethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline
CID 139243654
15-(3-Oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-trien-15-ylmethyl)-3-oxa-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),13(17),14-triene
CID 15261373
Bis(10-methyl-9,10-dihydroacridin-9-yl)ether
CID 67782554
(4aS,5R,10bS)-5-(2,6-difluorophenyl)-9-propan-2-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11325365
(4aR,5S,10bR)-5-(2,6-difluorophenyl)-9-propan-2-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11382318
5-(2,6-difluorophenyl)-9-propan-2-yl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11427876

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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?
The IUPAC name of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline (CID 139243646) is 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?
The canonical SMILES for 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is CC1C(OCC(F)(F)F)c2cc(C3c4cc(C5c6ccccc6N(C)C(C)(C)C5C)ccc4N(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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?
The InChIKey is OYXFCLAMSAIPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54F3N3O/c1-24-35(29-15-13-14-16-32(29)45(10)38(24,4)5)27-17-19-33-30(21-27)36(25(2)39(6,7)46(33)11)28-18-20-34-31(22-28)37(48-23-41(42,43)44)26(3)40(8,9)47(34)12/h13-22,24-26,35-37H,23H2,1-12H3.
What are the key properties of 1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline?
1,2,2,3-tetramethyl-6-(1,2,2,3-tetramethyl-3,4-dihydroquinolin-4-yl)-4-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline has a molecular weight of 661.90 g/mol, XLogP of 10.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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-[1,2,2,3-tetramethyl-4-(2,2,2-trifluoroethoxy)-3,4-dihydroquinolin-6-yl]-3,4-dihydroquinoline is sourced from PubChem (CID 139243646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).