1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one

C10H10N2OS — CID 13465138

IUPAC1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one
SMILESCSCn1c(=O)ccc2ccncc21
InChIInChI=1S/C10H10N2OS/c1-14-7-12-9-6-11-5-4-8(9)2-3-10(12)13/h2-6H,7H2,1H3
InChIKeyXXQHXFQQBVAAFR-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.72
Rot. Bonds2

About 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one

1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one (PubChem CID 13465138) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one
PubChem CID13465138
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one
SMILESCSCn1c(=O)ccc2ccncc21
InChIInChI=1S/C10H10N2OS/c1-14-7-12-9-6-11-5-4-8(9)2-3-10(12)13/h2-6H,7H2,1H3
InChIKeyXXQHXFQQBVAAFR-UHFFFAOYSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1,7-naphthyridin-2-one
CID 20645366
1-fluoro-1,7-naphthyridin-2-one
CID 87647202
2-(2-oxo-1,6-naphthyridin-1-yl)acetic acid
CID 68785258
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
1-acetyl-1,6-naphthyridin-2-one
CID 141166570
1-ethoxy-1,6-naphthyridin-2-one
CID 175990314
1-(methylamino)-1,6-naphthyridin-2-one
CID 121470936
1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine
CID 167151108
1-[2-[2-amino-4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
CID 24866704
2,9-phenanthroline
CID 23271029
1-(1H-imidazol-5-ylmethyl)quinolin-2-one
CID 22226593
1-oxidopyrrolo[2,3-c]pyridine
CID 87757695

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one?
The IUPAC name of 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one (CID 13465138) is 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one.
What is the SMILES notation for 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one?
The canonical SMILES for 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one is CSCn1c(=O)ccc2ccncc21.
What is the InChIKey of 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one?
The InChIKey is XXQHXFQQBVAAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c1-14-7-12-9-6-11-5-4-8(9)2-3-10(12)13/h2-6H,7H2,1H3.
What are the key properties of 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one?
1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one has a molecular weight of 206.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethyl)-1,7-naphthyridin-2-one is sourced from PubChem (CID 13465138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).