4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde

C17H15NO3 — CID 122475393

IUPAC4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde
SMILESCN1C(=O)CCc2c(Oc3ccc(C=O)cc3)cccc21
InChIInChI=1S/C17H15NO3/c1-18-15-3-2-4-16(14(15)9-10-17(18)20)21-13-7-5-12(11-19)6-8-13/h2-8,11H,9-10H2,1H3
InChIKeyTZQISTZHGOECLX-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.20
Rot. Bonds3

About 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde

4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde (PubChem CID 122475393) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde
PubChem CID122475393
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde
SMILESCN1C(=O)CCc2c(Oc3ccc(C=O)cc3)cccc21
InChIInChI=1S/C17H15NO3/c1-18-15-3-2-4-16(14(15)9-10-17(18)20)21-13-7-5-12(11-19)6-8-13/h2-8,11H,9-10H2,1H3
InChIKeyTZQISTZHGOECLX-UHFFFAOYSA-N
XLogP3.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde?
The IUPAC name of 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde (CID 122475393) is 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde.
What is the SMILES notation for 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde?
The canonical SMILES for 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde is CN1C(=O)CCc2c(Oc3ccc(C=O)cc3)cccc21.
What is the InChIKey of 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde?
The InChIKey is TZQISTZHGOECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-18-15-3-2-4-16(14(15)9-10-17(18)20)21-13-7-5-12(11-19)6-8-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde?
4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde has a molecular weight of 281.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxo-3,4-dihydroquinolin-5-yl)oxy]benzaldehyde is sourced from PubChem (CID 122475393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).