2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol

C22H20N2O4 — CID 158310859

IUPAC2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
SMILESCOc1nc2ccccc2cc1C=O.COc1nc2ccccc2cc1CO
InChIInChI=1S/C11H11NO2.C11H9NO2/c2*1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-6,13H,7H2,1H3;2-7H,1H3
InChIKeyGNQVEAAXWFINKP-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.79
Rot. Bonds4

About 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol

2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol (PubChem CID 158310859) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol.

Molecular Properties

Compound Name2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
PubChem CID158310859
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
SMILESCOc1nc2ccccc2cc1C=O.COc1nc2ccccc2cc1CO
InChIInChI=1S/C11H11NO2.C11H9NO2/c2*1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-6,13H,7H2,1H3;2-7H,1H3
InChIKeyGNQVEAAXWFINKP-UHFFFAOYSA-N
XLogP3.79
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxyquinoline-3-carbaldehyde
CID 838868
2-Ethoxyquinoline-3-carbaldehyde
CID 2404988
2,7-Dimethoxyquinoline-3-carbaldehyde
CID 3159668
2-Methoxyquinoline-3-carboxylic acid
CID 19794451
2-Methoxy-6-methylquinoline-3-carbaldehyde
CID 6484202
2-Phenoxyquinoline-3-carbaldehyde
CID 28951918
1-(2-Methoxyquinolin-3-yl)ethan-1-one
CID 11413002
2-(4-Methylphenoxy)quinoline-3-carbaldehyde
CID 28951695
6,6-Bis(hydroxymethyl)-2-(4-methoxyphenyl)-7,8-dihydroquinolin-5-one
CID 53322172
6-Methyl-2-(4-methylphenoxy)quinoline-3-carbaldehyde
CID 54578937
6-Methoxy-2-phenoxy-quinoline-3-carbaldehyde
CID 54578938
6-Methyl-2-phenoxy-quinoline-3-carbaldehyde
CID 54769593

Frequently Asked Questions

What is the IUPAC name of 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol?
The IUPAC name of 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol (CID 158310859) is 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol.
What is the SMILES notation for 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol?
The canonical SMILES for 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol is COc1nc2ccccc2cc1C=O.COc1nc2ccccc2cc1CO.
What is the InChIKey of 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol?
The InChIKey is GNQVEAAXWFINKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C11H9NO2/c2*1-14-11-9(7-13)6-8-4-2-3-5-10(8)12-11/h2-6,13H,7H2,1H3;2-7H,1H3.
What are the key properties of 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol?
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol has a molecular weight of 376.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol is sourced from PubChem (CID 158310859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).