4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one

C14H9F3N2OS — CID 8006551

IUPAC4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
SMILESCc1cc(=O)[nH]c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2OS/c1-7-5-11(20)19-13-12(7)8(14(15,16)17)6-9(18-13)10-3-2-4-21-10/h2-6H,1H3,(H,18,19,20)
InChIKeyOHNMBACJNMXQRQ-UHFFFAOYSA-N
MW310.30 g/mol
LogP3.98
Rot. Bonds1

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

4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one (PubChem CID 8006551) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
PubChem CID8006551
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
SMILESCc1cc(=O)[nH]c2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C14H9F3N2OS/c1-7-5-11(20)19-13-12(7)8(14(15,16)17)6-9(18-13)10-3-2-4-21-10/h2-6H,1H3,(H,18,19,20)
InChIKeyOHNMBACJNMXQRQ-UHFFFAOYSA-N
XLogP3.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-11-thiophen-2-yl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 54679258
methyl 2-[[4-oxo-7-thiophen-2-yl-5-(trifluoromethyl)-3H-pyrido[2,3-d]pyrimidin-2-yl]sulfanyl]acetate
CID 135527311
1-[(2R)-butan-2-yl]-2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090549
1-benzyl-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2345122
2-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 15325355
6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2,3-diamine
CID 143534703
1-cyclopentyl-2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29096113
3-cyclopropyl-1-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17025911
ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 19497203
3-amino-N-(2,3-dimethylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1022441
3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
CID 2366722
3-amino-N-(4-methylphenyl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1040522

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The IUPAC name of 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one (CID 8006551) is 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one is Cc1cc(=O)[nH]c2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
The InChIKey is OHNMBACJNMXQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c1-7-5-11(20)19-13-12(7)8(14(15,16)17)6-9(18-13)10-3-2-4-21-10/h2-6H,1H3,(H,18,19,20).
What are the key properties of 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one?
4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one has a molecular weight of 310.30 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 8006551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).