3,4-bis(2-methylquinolin-8-yl)phenol

C26H20N2O — CID 173208984

IUPAC3,4-bis(2-methylquinolin-8-yl)phenol
SMILESCc1ccc2cccc(-c3ccc(O)cc3-c3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C26H20N2O/c1-16-9-11-18-5-3-7-22(25(18)27-16)21-14-13-20(29)15-24(21)23-8-4-6-19-12-10-17(2)28-26(19)23/h3-15,29H,1-2H3
InChIKeyUOLWEQYLBVZZAD-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.44
Rot. Bonds2

About 3,4-bis(2-methylquinolin-8-yl)phenol

3,4-bis(2-methylquinolin-8-yl)phenol (PubChem CID 173208984) has the molecular formula C26H20N2O and a molecular weight of 376.46 g/mol. Its IUPAC name is 3,4-bis(2-methylquinolin-8-yl)phenol.

Molecular Properties

Compound Name3,4-bis(2-methylquinolin-8-yl)phenol
PubChem CID173208984
Molecular FormulaC26H20N2O
Molecular Weight376.46 g/mol
Exact Mass376.16
IUPAC Name3,4-bis(2-methylquinolin-8-yl)phenol
SMILESCc1ccc2cccc(-c3ccc(O)cc3-c3cccc4ccc(C)nc34)c2n1
InChIInChI=1S/C26H20N2O/c1-16-9-11-18-5-3-7-22(25(18)27-16)21-14-13-20(29)15-24(21)23-8-4-6-19-12-10-17(2)28-26(19)23/h3-15,29H,1-2H3
InChIKeyUOLWEQYLBVZZAD-UHFFFAOYSA-N
XLogP6.44
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methylquinolin-8-yl)phenol?
The IUPAC name of 3,4-bis(2-methylquinolin-8-yl)phenol (CID 173208984) is 3,4-bis(2-methylquinolin-8-yl)phenol.
What is the SMILES notation for 3,4-bis(2-methylquinolin-8-yl)phenol?
The canonical SMILES for 3,4-bis(2-methylquinolin-8-yl)phenol is Cc1ccc2cccc(-c3ccc(O)cc3-c3cccc4ccc(C)nc34)c2n1.
What is the InChIKey of 3,4-bis(2-methylquinolin-8-yl)phenol?
The InChIKey is UOLWEQYLBVZZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O/c1-16-9-11-18-5-3-7-22(25(18)27-16)21-14-13-20(29)15-24(21)23-8-4-6-19-12-10-17(2)28-26(19)23/h3-15,29H,1-2H3.
What are the key properties of 3,4-bis(2-methylquinolin-8-yl)phenol?
3,4-bis(2-methylquinolin-8-yl)phenol has a molecular weight of 376.46 g/mol, XLogP of 6.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methylquinolin-8-yl)phenol is sourced from PubChem (CID 173208984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).