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

C14H12N2OS — CID 21284349

IUPAC3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccsc1-n1c(=O)c(C)cc2cccnc21
InChIInChI=1S/C14H12N2OS/c1-9-5-7-18-14(9)16-12-11(4-3-6-15-12)8-10(2)13(16)17/h3-8H,1-2H3
InChIKeyXTHZTRSYTRXLPI-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.06
Rot. Bonds1

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

3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one (PubChem CID 21284349) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one
PubChem CID21284349
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one
SMILESCc1ccsc1-n1c(=O)c(C)cc2cccnc21
InChIInChI=1S/C14H12N2OS/c1-9-5-7-18-14(9)16-12-11(4-3-6-15-12)8-10(2)13(16)17/h3-8H,1-2H3
InChIKeyXTHZTRSYTRXLPI-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one (CID 21284349) is 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one is Cc1ccsc1-n1c(=O)c(C)cc2cccnc21.
What is the InChIKey of 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
The InChIKey is XTHZTRSYTRXLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-5-7-18-14(9)16-12-11(4-3-6-15-12)8-10(2)13(16)17/h3-8H,1-2H3.
What are the key properties of 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one?
3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one has a molecular weight of 256.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 21284349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).