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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methoxy-4-propan-2-ylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 156707453
4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 134310779
4-(3,5-dimethoxy-4-propylphenyl)-2-methyl-2,7-naphthyridin-1-one
CID 160742919
4-methylsulfanylpyridine-3-carbaldehyde
CID 12956352
2-methyl-4-propan-2-yl-2,6-naphthyridin-1-one
CID 147727111
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one;ethane
CID 176971634
4-[3-fluoro-5-methoxy-4-(methylaminomethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one
CID 139373794
2-methyl-4-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]-3-(trifluoromethoxy)phenyl]-2,7-naphthyridin-1-one
CID 167379558
3-methylpyrido[4,3-d]pyrimidin-4-one
CID 59514464
4-[4-[[(3-amino-1-bicyclo[1.1.1]pentanyl)-methylamino]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672366
4-[4-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 154672442
6-(1-methylpyrrolo[2,3-c]pyridin-3-yl)isoquinoline
CID 166360060

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).