5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol

C24H19Cl2F3N2O — CID 176732605

IUPAC5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(C=CC3=CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc12
InChIInChI=1S/C24H19Cl2F3N2O/c25-20-13-21(26)23(32)22-19(20)8-7-18(30-22)6-3-15-9-11-31(12-10-15)14-16-1-4-17(5-2-16)24(27,28)29/h1-9,13,32H,10-12,14H2
InChIKeyPLKPNHXVLLIHPL-UHFFFAOYSA-N
MW479.33 g/mol
LogP7.11
Rot. Bonds4

About 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol

5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol (PubChem CID 176732605) has the molecular formula C24H19Cl2F3N2O and a molecular weight of 479.33 g/mol. Its IUPAC name is 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
PubChem CID176732605
Molecular FormulaC24H19Cl2F3N2O
Molecular Weight479.33 g/mol
Exact Mass478.08
IUPAC Name5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
SMILESOc1c(Cl)cc(Cl)c2ccc(C=CC3=CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc12
InChIInChI=1S/C24H19Cl2F3N2O/c25-20-13-21(26)23(32)22-19(20)8-7-18(30-22)6-3-15-9-11-31(12-10-15)14-16-1-4-17(5-2-16)24(27,28)29/h1-9,13,32H,10-12,14H2
InChIKeyPLKPNHXVLLIHPL-UHFFFAOYSA-N
XLogP7.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.33
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-[2-[1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 176732592
5,7-dichloro-2-[2-[1-[(2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol
CID 176732591
2-[2-(1,3-benzodioxol-5-yl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 3459413
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
2-[(E)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)ethenyl]-5,7-dichloroquinolin-8-ol
CID 135557835
[1-[(4-pyrimidin-2-yloxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 68681649
2,6-dichloro-4-[2-[[4-(trifluoromethyl)phenyl]methyl]-5H-1,2,4-oxadiazol-5-yl]phenol
CID 66909842
7-amino-5-chloro-2-[(E)-2-phenylethenyl]quinolin-8-ol
CID 141228959
1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
CID 67582460
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
[[[5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-ethylcarbamoyl]amino]methylidenecobalt
CID 177017386
2-[(5,7-dichloro-8-hydroxyquinolin-2-yl)methyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 68607358

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
The IUPAC name of 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol (CID 176732605) is 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol.
What is the SMILES notation for 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
The canonical SMILES for 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol is Oc1c(Cl)cc(Cl)c2ccc(C=CC3=CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc12.
What is the InChIKey of 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
The InChIKey is PLKPNHXVLLIHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F3N2O/c25-20-13-21(26)23(32)22-19(20)8-7-18(30-22)6-3-15-9-11-31(12-10-15)14-16-1-4-17(5-2-16)24(27,28)29/h1-9,13,32H,10-12,14H2.
What are the key properties of 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol?
5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol has a molecular weight of 479.33 g/mol, XLogP of 7.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]ethenyl]quinolin-8-ol is sourced from PubChem (CID 176732605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).