2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol

C36H32N2O4 — CID 158661570

IUPAC2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol
SMILESCOc1ccccc1-c1nc2c(C)cccc2cc1C=O.COc1ccccc1-c1nc2c(C)cccc2cc1CO
InChIInChI=1S/C18H17NO2.C18H15NO2/c2*1-12-6-5-7-13-10-14(11-20)18(19-17(12)13)15-8-3-4-9-16(15)21-2/h3-10,20H,11H2,1-2H3;3-11H,1-2H3
InChIKeyICVAEENRFQYGCA-UHFFFAOYSA-N
MW556.66 g/mol
LogP7.74
Rot. Bonds6

About 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol

2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol (PubChem CID 158661570) has the molecular formula C36H32N2O4 and a molecular weight of 556.66 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol
PubChem CID158661570
Molecular FormulaC36H32N2O4
Molecular Weight556.66 g/mol
Exact Mass556.24
IUPAC Name2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol
SMILESCOc1ccccc1-c1nc2c(C)cccc2cc1C=O.COc1ccccc1-c1nc2c(C)cccc2cc1CO
InChIInChI=1S/C18H17NO2.C18H15NO2/c2*1-12-6-5-7-13-10-14(11-20)18(19-17(12)13)15-8-3-4-9-16(15)21-2/h3-10,20H,11H2,1-2H3;3-11H,1-2H3
InChIKeyICVAEENRFQYGCA-UHFFFAOYSA-N
XLogP7.74
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 57.74
H-Bond Donors ≤ 51
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 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol?
The IUPAC name of 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol (CID 158661570) is 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol.
What is the SMILES notation for 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol?
The canonical SMILES for 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol is COc1ccccc1-c1nc2c(C)cccc2cc1C=O.COc1ccccc1-c1nc2c(C)cccc2cc1CO.
What is the InChIKey of 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol?
The InChIKey is ICVAEENRFQYGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C18H15NO2/c2*1-12-6-5-7-13-10-14(11-20)18(19-17(12)13)15-8-3-4-9-16(15)21-2/h3-10,20H,11H2,1-2H3;3-11H,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol?
2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol has a molecular weight of 556.66 g/mol, XLogP of 7.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-8-methylquinoline-3-carbaldehyde;[2-(2-methoxyphenyl)-8-methylquinolin-3-yl]methanol is sourced from PubChem (CID 158661570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).