1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

C29H24F6N2O2 — CID 78101247

IUPAC1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESOC(CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C29H24F6N2O2/c30-28(31,32)27(38)18-37-25-14-4-3-13-24(25)36(16-19-7-5-10-21(15-19)39-29(33,34)35)17-26(37)23-12-6-9-20-8-1-2-11-22(20)23/h1-15,26-27,38H,16-18H2
InChIKeyKHXZYTUOJKGFDR-UHFFFAOYSA-N
MW546.51 g/mol
LogP7.23
Rot. Bonds6

About 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol

1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (PubChem CID 78101247) has the molecular formula C29H24F6N2O2 and a molecular weight of 546.51 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
PubChem CID78101247
Molecular FormulaC29H24F6N2O2
Molecular Weight546.51 g/mol
Exact Mass546.17
IUPAC Name1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol
SMILESOC(CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C29H24F6N2O2/c30-28(31,32)27(38)18-37-25-14-4-3-13-24(25)36(16-19-7-5-10-21(15-19)39-29(33,34)35)17-26(37)23-12-6-9-20-8-1-2-11-22(20)23/h1-15,26-27,38H,16-18H2
InChIKeyKHXZYTUOJKGFDR-UHFFFAOYSA-N
XLogP7.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.51
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol 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

Tetrahydroquinoline A
CID 44591717
(2R,alphaS)-3,4-Dihydro-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)-phenyl]-alpha-(trifluoromethyl)-1(2H)-quinolineethanol
CID 17754439
1(2H)-Quinolineethanol, 3,4-dihydro-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-5-[3-(trifluoromethoxy)phenyl]-a-(trifluoromethyl)-, (aS,2R)-
CID 24774836
1,1,1-trifluoro-3-(2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-5-(4-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24774923
3-(2-(3-(1,1,2,2-Tetrafluoroethoxy)phenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,3,4-tetrahydroquinolin-5-yl)benzonitrile
CID 24774924
1,1,1-trifluoro-3-(5-(3-fluorophenyl)-2-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24774925
1,1,1-trifluoro-3-(5-(3-(trifluoromethoxy)phenyl)-2-(3-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24774927
3-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)-1,1,1-trifluoropropan-2-ol
CID 24775099
1-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbutan-2-ol
CID 24775283
1-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)-3-chloropropan-2-ol
CID 24775284
1-(2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydro quinolin-1(2H)-yl)-3-fluoropropan-2-ol
CID 24775285
(R)-1-((R)-2,5-bis(3-(trifluoromethoxy)phenyl)-3,4-dihydroquinolin-1(2H)-yl)propan-2-ol
CID 24775382

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol (CID 78101247) is 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is OC(CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)CC1c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
The InChIKey is KHXZYTUOJKGFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F6N2O2/c30-28(31,32)27(38)18-37-25-14-4-3-13-24(25)36(16-19-7-5-10-21(15-19)39-29(33,34)35)17-26(37)23-12-6-9-20-8-1-2-11-22(20)23/h1-15,26-27,38H,16-18H2.
What are the key properties of 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol has a molecular weight of 546.51 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-naphthalen-1-yl-4-[[3-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroquinoxalin-1-yl]propan-2-ol is sourced from PubChem (CID 78101247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).