bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde

C35H32N2O4 — CID 87699606

IUPACbis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde
SMILESCc1cc(C)c2cccc(O)c2n1.Cc1cc(C)c2cccc(O)c2n1.O=Cc1c(O)cccc1-c1ccccc1
InChIInChI=1S/C13H10O2.2C11H11NO/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10;2*1-7-6-8(2)12-11-9(7)4-3-5-10(11)13/h1-9,15H;2*3-6,13H,1-2H3
InChIKeyRIAWCSLUFBVXMB-UHFFFAOYSA-N
MW544.65 g/mol
LogP7.99
Rot. Bonds2

About bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde

bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde (PubChem CID 87699606) has the molecular formula C35H32N2O4 and a molecular weight of 544.65 g/mol. Its IUPAC name is bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde.

Molecular Properties

Compound Namebis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde
PubChem CID87699606
Molecular FormulaC35H32N2O4
Molecular Weight544.65 g/mol
Exact Mass544.24
IUPAC Namebis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde
SMILESCc1cc(C)c2cccc(O)c2n1.Cc1cc(C)c2cccc(O)c2n1.O=Cc1c(O)cccc1-c1ccccc1
InChIInChI=1S/C13H10O2.2C11H11NO/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10;2*1-7-6-8(2)12-11-9(7)4-3-5-10(11)13/h1-9,15H;2*3-6,13H,1-2H3
InChIKeyRIAWCSLUFBVXMB-UHFFFAOYSA-N
XLogP7.99
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 57.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde?
The IUPAC name of bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde (CID 87699606) is bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde.
What is the SMILES notation for bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde?
The canonical SMILES for bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde is Cc1cc(C)c2cccc(O)c2n1.Cc1cc(C)c2cccc(O)c2n1.O=Cc1c(O)cccc1-c1ccccc1.
What is the InChIKey of bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde?
The InChIKey is RIAWCSLUFBVXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.2C11H11NO/c14-9-12-11(7-4-8-13(12)15)10-5-2-1-3-6-10;2*1-7-6-8(2)12-11-9(7)4-3-5-10(11)13/h1-9,15H;2*3-6,13H,1-2H3.
What are the key properties of bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde?
bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde has a molecular weight of 544.65 g/mol, XLogP of 7.99, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylquinolin-8-ol);2-hydroxy-6-phenylbenzaldehyde is sourced from PubChem (CID 87699606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).