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

C20H16N2OS — CID 10854038

IUPAC7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3sc(-c4ccccc4)cc3C)[nH]c2n1
InChIInChI=1S/C20H16N2OS/c1-12-10-18(14-6-4-3-5-7-14)24-19(12)16-11-17(23)15-9-8-13(2)21-20(15)22-16/h3-11H,1-2H3,(H,21,22,23)
InChIKeyUUTCEMUBPFRQPL-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.94
Rot. Bonds2

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

7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 10854038) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
PubChem CID10854038
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3sc(-c4ccccc4)cc3C)[nH]c2n1
InChIInChI=1S/C20H16N2OS/c1-12-10-18(14-6-4-3-5-7-14)24-19(12)16-11-17(23)15-9-8-13(2)21-20(15)22-16/h3-11H,1-2H3,(H,21,22,23)
InChIKeyUUTCEMUBPFRQPL-UHFFFAOYSA-N
XLogP4.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.94
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-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one (CID 10854038) is 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)cc(-c3sc(-c4ccccc4)cc3C)[nH]c2n1.
What is the InChIKey of 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is UUTCEMUBPFRQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-12-10-18(14-6-4-3-5-7-14)24-19(12)16-11-17(23)15-9-8-13(2)21-20(15)22-16/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one?
7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 332.43 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(3-methyl-5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 10854038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).