4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one

C15H12N2O2S — CID 142216436

IUPAC4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one
SMILESCOc1c(Sc2ccccc2)c(=O)[nH]c2ncccc12
InChIInChI=1S/C15H12N2O2S/c1-19-12-11-8-5-9-16-14(11)17-15(18)13(12)20-10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeyYYRXUBXIJXJWJN-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.08
Rot. Bonds3

About 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one

4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one (PubChem CID 142216436) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one
PubChem CID142216436
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one
SMILESCOc1c(Sc2ccccc2)c(=O)[nH]c2ncccc12
InChIInChI=1S/C15H12N2O2S/c1-19-12-11-8-5-9-16-14(11)17-15(18)13(12)20-10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18)
InChIKeyYYRXUBXIJXJWJN-UHFFFAOYSA-N
XLogP3.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-1H-1,8-naphthyridin-2-one
CID 68612137
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CID 138976814
3-methoxy-4-phenylsulfanylcinnoline
CID 15889677
7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
CID 142818668
4-[3-(4-chlorophenyl)sulfanyl-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohexan-1-one
CID 70170674
6-methoxy-3-phenylsulfanyl-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide
CID 22513802
N-(3,5-dimethoxyphenyl)-4-hydroxy-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 54726859
3-(3-methoxyphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 152763783
1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
CID 58168082
2-oxo-3-(4-phenoxyphenyl)sulfanyl-1H-quinoline-4-carboxylic acid
CID 139572427
3-(4-chlorophenyl)sulfanyl-2-(6-methylsulfinyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 54591674
2-methyl-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 58087002

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one (CID 142216436) is 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one is COc1c(Sc2ccccc2)c(=O)[nH]c2ncccc12.
What is the InChIKey of 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
The InChIKey is YYRXUBXIJXJWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-11-8-5-9-16-14(11)17-15(18)13(12)20-10-6-3-2-4-7-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one?
4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one has a molecular weight of 284.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenylsulfanyl-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 142216436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).