2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one

C15H14N2OS — CID 5470413

IUPAC2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3cc(C)sc3C)[nH]c2n1
InChIInChI=1S/C15H14N2OS/c1-8-4-5-11-14(18)7-13(17-15(11)16-8)12-6-9(2)19-10(12)3/h4-7H,1-3H3,(H,16,17,18)
InChIKeyMPOCYEDDQCUTMA-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.58
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one

2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 5470413) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
PubChem CID5470413
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3cc(C)sc3C)[nH]c2n1
InChIInChI=1S/C15H14N2OS/c1-8-4-5-11-14(18)7-13(17-15(11)16-8)12-6-9(2)19-10(12)3/h4-7H,1-3H3,(H,16,17,18)
InChIKeyMPOCYEDDQCUTMA-UHFFFAOYSA-N
XLogP3.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one (CID 5470413) is 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)cc(-c3cc(C)sc3C)[nH]c2n1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is MPOCYEDDQCUTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-8-4-5-11-14(18)7-13(17-15(11)16-8)12-6-9(2)19-10(12)3/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5470413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).