7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol

C26H20F6N2O — CID 123428631

IUPAC7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol
SMILESCc1ccnc(CCC(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C26H20F6N2O/c1-15-10-12-33-18(13-15)6-9-19(21-7-4-16-3-2-11-34-23(16)24(21)35)20-8-5-17(25(27,28)29)14-22(20)26(30,31)32/h2-5,7-8,10-14,19,35H,6,9H2,1H3
InChIKeyRBXZUGFVTKJPBZ-UHFFFAOYSA-N
MW490.45 g/mol
LogP7.45
Rot. Bonds5

About 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol

7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol (PubChem CID 123428631) has the molecular formula C26H20F6N2O and a molecular weight of 490.45 g/mol. Its IUPAC name is 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol
PubChem CID123428631
Molecular FormulaC26H20F6N2O
Molecular Weight490.45 g/mol
Exact Mass490.15
IUPAC Name7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol
SMILESCc1ccnc(CCC(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C26H20F6N2O/c1-15-10-12-33-18(13-15)6-9-19(21-7-4-16-3-2-11-34-23(16)24(21)35)20-8-5-17(25(27,28)29)14-22(20)26(30,31)32/h2-5,7-8,10-14,19,35H,6,9H2,1H3
InChIKeyRBXZUGFVTKJPBZ-UHFFFAOYSA-N
XLogP7.45
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.45
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxyquinoline sulfate
CID 517000
5-Methyl-8-hydroxyquinoline
CID 71208
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
7-(Piperidin-1-ylmethyl)quinolin-8-ol
CID 245742
9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
4-Methyl-8-hydroxyquinoline
CID 345169
Hla-20
CID 6918819
5,7-Dimethyl-8-quinolinol
CID 762732
7-(Anilino(phenyl)methyl)-2-methyl-8-quinolinol
CID 248986
7-((2-Fluorophenyl)(4-methylpyridin-2-ylamino)methyl)quinolin-8-ol
CID 3478212

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol?
The IUPAC name of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol (CID 123428631) is 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol.
What is the SMILES notation for 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol?
The canonical SMILES for 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol is Cc1ccnc(CCC(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol?
The InChIKey is RBXZUGFVTKJPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F6N2O/c1-15-10-12-33-18(13-15)6-9-19(21-7-4-16-3-2-11-34-23(16)24(21)35)20-8-5-17(25(27,28)29)14-22(20)26(30,31)32/h2-5,7-8,10-14,19,35H,6,9H2,1H3.
What are the key properties of 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol?
7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol has a molecular weight of 490.45 g/mol, XLogP of 7.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2,4-bis(trifluoromethyl)phenyl]-3-(4-methyl-2-pyridinyl)propyl]quinolin-8-ol is sourced from PubChem (CID 123428631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).