7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol

C25H22F2N2O — CID 58543201

IUPAC7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol
SMILESCc1cccc(CC(c2ccc(C)c(F)c2F)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C25H22F2N2O/c1-14-7-11-19(23(27)22(14)26)21(13-18-6-4-5-15(2)28-18)20-12-10-17-9-8-16(3)29-24(17)25(20)30/h4-12,21,30H,13H2,1-3H3
InChIKeyCQSQWTRLHVDMTG-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.91
Rot. Bonds4

About 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol

7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol (PubChem CID 58543201) has the molecular formula C25H22F2N2O and a molecular weight of 404.46 g/mol. Its IUPAC name is 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol.

Molecular Properties

Compound Name7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol
PubChem CID58543201
Molecular FormulaC25H22F2N2O
Molecular Weight404.46 g/mol
Exact Mass404.17
IUPAC Name7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol
SMILESCc1cccc(CC(c2ccc(C)c(F)c2F)c2ccc3ccc(C)nc3c2O)n1
InChIInChI=1S/C25H22F2N2O/c1-14-7-11-19(23(27)22(14)26)21(13-18-6-4-5-15(2)28-18)20-12-10-17-9-8-16(3)29-24(17)25(20)30/h4-12,21,30H,13H2,1-3H3
InChIKeyCQSQWTRLHVDMTG-UHFFFAOYSA-N
XLogP5.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol?
The IUPAC name of 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol (CID 58543201) is 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol.
What is the SMILES notation for 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol?
The canonical SMILES for 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol is Cc1cccc(CC(c2ccc(C)c(F)c2F)c2ccc3ccc(C)nc3c2O)n1.
What is the InChIKey of 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol?
The InChIKey is CQSQWTRLHVDMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O/c1-14-7-11-19(23(27)22(14)26)21(13-18-6-4-5-15(2)28-18)20-12-10-17-9-8-16(3)29-24(17)25(20)30/h4-12,21,30H,13H2,1-3H3.
What are the key properties of 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol?
7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol has a molecular weight of 404.46 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-2-pyridinyl)ethyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 58543201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).