1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol

C24H22Cl2F3N3O — CID 67560741

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol
SMILESCCc1n[nH]c(CC)c1CC1=CCc2ccc(O)cc2N1c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H22Cl2F3N3O/c1-3-20-17(21(4-2)31-30-20)11-15-7-5-13-6-8-16(33)12-22(13)32(15)23-18(25)9-14(10-19(23)26)24(27,28)29/h6-10,12,33H,3-5,11H2,1-2H3,(H,30,31)
InChIKeyNUNNLWXGLNACDZ-UHFFFAOYSA-N
MW496.36 g/mol
LogP7.39
Rot. Bonds5

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol (PubChem CID 67560741) has the molecular formula C24H22Cl2F3N3O and a molecular weight of 496.36 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol
PubChem CID67560741
Molecular FormulaC24H22Cl2F3N3O
Molecular Weight496.36 g/mol
Exact Mass495.11
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol
SMILESCCc1n[nH]c(CC)c1CC1=CCc2ccc(O)cc2N1c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C24H22Cl2F3N3O/c1-3-20-17(21(4-2)31-30-20)11-15-7-5-13-6-8-16(33)12-22(13)32(15)23-18(25)9-14(10-19(23)26)24(27,28)29/h6-10,12,33H,3-5,11H2,1-2H3,(H,30,31)
InChIKeyNUNNLWXGLNACDZ-UHFFFAOYSA-N
XLogP7.39
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.36
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol (CID 67560741) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol is CCc1n[nH]c(CC)c1CC1=CCc2ccc(O)cc2N1c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol?
The InChIKey is NUNNLWXGLNACDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2F3N3O/c1-3-20-17(21(4-2)31-30-20)11-15-7-5-13-6-8-16(33)12-22(13)32(15)23-18(25)9-14(10-19(23)26)24(27,28)29/h6-10,12,33H,3-5,11H2,1-2H3,(H,30,31).
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol has a molecular weight of 496.36 g/mol, XLogP of 7.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-[(3,5-diethyl-1H-pyrazol-4-yl)methyl]-4H-quinolin-7-ol is sourced from PubChem (CID 67560741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).