3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

C24H21Cl2F3N2O — CID 78047384

IUPAC3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1c2ccccc2N(Cc2cc(Cl)cc(Cl)c2)CC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H21Cl2F3N2O/c25-18-10-16(11-19(26)12-18)13-30-14-22(17-6-2-1-3-7-17)31(15-23(32)24(27,28)29)21-9-5-4-8-20(21)30/h1-12,22-23,32H,13-15H2
InChIKeyKAFZDQIQQXFEMH-UHFFFAOYSA-N
MW481.35 g/mol
LogP6.48
Rot. Bonds5

About 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol

3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 78047384) has the molecular formula C24H21Cl2F3N2O and a molecular weight of 481.35 g/mol. Its IUPAC name is 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID78047384
Molecular FormulaC24H21Cl2F3N2O
Molecular Weight481.35 g/mol
Exact Mass480.10
IUPAC Name3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN1c2ccccc2N(Cc2cc(Cl)cc(Cl)c2)CC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H21Cl2F3N2O/c25-18-10-16(11-19(26)12-18)13-30-14-22(17-6-2-1-3-7-17)31(15-23(32)24(27,28)29)21-9-5-4-8-20(21)30/h1-12,22-23,32H,13-15H2
InChIKeyKAFZDQIQQXFEMH-UHFFFAOYSA-N
XLogP6.48
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.35
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol (CID 78047384) is 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is OC(CN1c2ccccc2N(Cc2cc(Cl)cc(Cl)c2)CC1c1ccccc1)C(F)(F)F.
What is the InChIKey of 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is KAFZDQIQQXFEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2F3N2O/c25-18-10-16(11-19(26)12-18)13-30-14-22(17-6-2-1-3-7-17)31(15-23(32)24(27,28)29)21-9-5-4-8-20(21)30/h1-12,22-23,32H,13-15H2.
What are the key properties of 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol?
3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 481.35 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dichlorophenyl)methyl]-2-phenyl-2,3-dihydroquinoxalin-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 78047384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).