2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde

C18H15NO3 — CID 122365767

IUPAC2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde
SMILESCOc1ccc(-c2cn(C)c3ccccc3c2=O)cc1C=O
InChIInChI=1S/C18H15NO3/c1-19-10-15(18(21)14-5-3-4-6-16(14)19)12-7-8-17(22-2)13(9-12)11-20/h3-11H,1-2H3
InChIKeyXWJJGQFJXDTSOE-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.03
Rot. Bonds3

About 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde

2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde (PubChem CID 122365767) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde
PubChem CID122365767
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde
SMILESCOc1ccc(-c2cn(C)c3ccccc3c2=O)cc1C=O
InChIInChI=1S/C18H15NO3/c1-19-10-15(18(21)14-5-3-4-6-16(14)19)12-7-8-17(22-2)13(9-12)11-20/h3-11H,1-2H3
InChIKeyXWJJGQFJXDTSOE-UHFFFAOYSA-N
XLogP3.03
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde (CID 122365767) is 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde is COc1ccc(-c2cn(C)c3ccccc3c2=O)cc1C=O.
What is the InChIKey of 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde?
The InChIKey is XWJJGQFJXDTSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-19-10-15(18(21)14-5-3-4-6-16(14)19)12-7-8-17(22-2)13(9-12)11-20/h3-11H,1-2H3.
What are the key properties of 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde?
2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde has a molecular weight of 293.32 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(1-methyl-4-oxoquinolin-3-yl)benzaldehyde is sourced from PubChem (CID 122365767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).