7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol

C46H30Cl6F4N4O2 — CID 158005542

IUPAC7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
SMILESCc1nc(CC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c(Cl)cc1Cl.Oc1c(C(Cc2ncc(C(F)(F)F)cc2F)c2ccc(Cl)cc2Cl)ccc2cccnc12
InChIInChI=1S/C23H16Cl4N2O.C23H14Cl2F4N2O/c1-12-18(25)11-20(27)21(29-12)10-17(15-7-5-14(24)9-19(15)26)16-6-4-13-3-2-8-28-22(13)23(16)30;24-14-4-6-15(18(25)9-14)17(10-20-19(26)8-13(11-31-20)23(27,28)29)16-5-3-12-2-1-7-30-21(12)22(16)32/h2-9,11,17,30H,10H2,1H3;1-9,11,17,32H,10H2
InChIKeyFEGBYNNYHRFCTR-UHFFFAOYSA-N
MW959.48 g/mol
LogP14.81
Rot. Bonds8

About 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol

7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol (PubChem CID 158005542) has the molecular formula C46H30Cl6F4N4O2 and a molecular weight of 959.48 g/mol. Its IUPAC name is 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
PubChem CID158005542
Molecular FormulaC46H30Cl6F4N4O2
Molecular Weight959.48 g/mol
Exact Mass956.04
IUPAC Name7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol
SMILESCc1nc(CC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c(Cl)cc1Cl.Oc1c(C(Cc2ncc(C(F)(F)F)cc2F)c2ccc(Cl)cc2Cl)ccc2cccnc12
InChIInChI=1S/C23H16Cl4N2O.C23H14Cl2F4N2O/c1-12-18(25)11-20(27)21(29-12)10-17(15-7-5-14(24)9-19(15)26)16-6-4-13-3-2-8-28-22(13)23(16)30;24-14-4-6-15(18(25)9-14)17(10-20-19(26)8-13(11-31-20)23(27,28)29)16-5-3-12-2-1-7-30-21(12)22(16)32/h2-9,11,17,30H,10H2,1H3;1-9,11,17,32H,10H2
InChIKeyFEGBYNNYHRFCTR-UHFFFAOYSA-N
XLogP14.81
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.48
LogP ≤ 514.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-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 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
The IUPAC name of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol (CID 158005542) is 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol.
What is the SMILES notation for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
The canonical SMILES for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol is Cc1nc(CC(c2ccc(Cl)cc2Cl)c2ccc3cccnc3c2O)c(Cl)cc1Cl.Oc1c(C(Cc2ncc(C(F)(F)F)cc2F)c2ccc(Cl)cc2Cl)ccc2cccnc12.
What is the InChIKey of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
The InChIKey is FEGBYNNYHRFCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl4N2O.C23H14Cl2F4N2O/c1-12-18(25)11-20(27)21(29-12)10-17(15-7-5-14(24)9-19(15)26)16-6-4-13-3-2-8-28-22(13)23(16)30;24-14-4-6-15(18(25)9-14)17(10-20-19(26)8-13(11-31-20)23(27,28)29)16-5-3-12-2-1-7-30-21(12)22(16)32/h2-9,11,17,30H,10H2,1H3;1-9,11,17,32H,10H2.
What are the key properties of 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol?
7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol has a molecular weight of 959.48 g/mol, XLogP of 14.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,5-dichloro-6-methyl-2-pyridinyl)-1-(2,4-dichlorophenyl)ethyl]quinolin-8-ol;7-[1-(2,4-dichlorophenyl)-2-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]ethyl]quinolin-8-ol is sourced from PubChem (CID 158005542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).