2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol

C18H20N2O — CID 45484267

IUPAC2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccncc2)c2ccc(O)cc21
InChIInChI=1S/C18H20N2O/c1-13-11-18(2,3)20(12-14-6-8-19-9-7-14)17-5-4-15(21)10-16(13)17/h4-11,21H,12H2,1-3H3
InChIKeyCLSOBKBJNVIJJE-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.99
Rot. Bonds2

About 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol

2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol (PubChem CID 45484267) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol
PubChem CID45484267
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol
SMILESCC1=CC(C)(C)N(Cc2ccncc2)c2ccc(O)cc21
InChIInChI=1S/C18H20N2O/c1-13-11-18(2,3)20(12-14-6-8-19-9-7-14)17-5-4-15(21)10-16(13)17/h4-11,21H,12H2,1-3H3
InChIKeyCLSOBKBJNVIJJE-UHFFFAOYSA-N
XLogP3.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol?
The IUPAC name of 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol (CID 45484267) is 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol.
What is the SMILES notation for 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol?
The canonical SMILES for 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol is CC1=CC(C)(C)N(Cc2ccncc2)c2ccc(O)cc21.
What is the InChIKey of 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol?
The InChIKey is CLSOBKBJNVIJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-11-18(2,3)20(12-14-6-8-19-9-7-14)17-5-4-15(21)10-16(13)17/h4-11,21H,12H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol?
2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol has a molecular weight of 280.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-(pyridin-4-ylmethyl)quinolin-6-ol is sourced from PubChem (CID 45484267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).