7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one

C14H12N2OS — CID 5470410

IUPAC7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3sccc3C)[nH]c2n1
InChIInChI=1S/C14H12N2OS/c1-8-5-6-18-13(8)11-7-12(17)10-4-3-9(2)15-14(10)16-11/h3-7H,1-2H3,(H,15,16,17)
InChIKeyPAARUIKEXNWGTD-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.27
Rot. Bonds1

About 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one

7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 5470410) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID5470410
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3sccc3C)[nH]c2n1
InChIInChI=1S/C14H12N2OS/c1-8-5-6-18-13(8)11-7-12(17)10-4-3-9(2)15-14(10)16-11/h3-7H,1-2H3,(H,15,16,17)
InChIKeyPAARUIKEXNWGTD-UHFFFAOYSA-N
XLogP3.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (CID 5470410) is 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)cc(-c3sccc3C)[nH]c2n1.
What is the InChIKey of 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is PAARUIKEXNWGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-8-5-6-18-13(8)11-7-12(17)10-4-3-9(2)15-14(10)16-11/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 256.33 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5470410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).