4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde

C17H14N2O2S — CID 139370969

IUPAC4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde
SMILESCSc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C=O
InChIInChI=1S/C17H14N2O2S/c1-19-9-15(13-5-6-18-8-14(13)17(19)21)11-3-4-12(10-20)16(7-11)22-2/h3-10H,1-2H3
InChIKeyUFJXEWIYQSXFTP-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.13
Rot. Bonds3

About 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde

4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde (PubChem CID 139370969) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde.

Molecular Properties

Compound Name4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde
PubChem CID139370969
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde
SMILESCSc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C=O
InChIInChI=1S/C17H14N2O2S/c1-19-9-15(13-5-6-18-8-14(13)17(19)21)11-3-4-12(10-20)16(7-11)22-2/h3-10H,1-2H3
InChIKeyUFJXEWIYQSXFTP-UHFFFAOYSA-N
XLogP3.13
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde?
The IUPAC name of 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde (CID 139370969) is 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde.
What is the SMILES notation for 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde?
The canonical SMILES for 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde is CSc1cc(-c2cn(C)c(=O)c3cnccc23)ccc1C=O.
What is the InChIKey of 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde?
The InChIKey is UFJXEWIYQSXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-19-9-15(13-5-6-18-8-14(13)17(19)21)11-3-4-12(10-20)16(7-11)22-2/h3-10H,1-2H3.
What are the key properties of 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde?
4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde has a molecular weight of 310.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)-2-methylsulfanylbenzaldehyde is sourced from PubChem (CID 139370969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).