(3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone

C14H10N2OS — CID 15644312

IUPAC(3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone
SMILESCc1nc2ccccc2nc1C(=O)c1cccs1
InChIInChI=1S/C14H10N2OS/c1-9-13(14(17)12-7-4-8-18-12)16-11-6-3-2-5-10(11)15-9/h2-8H,1H3
InChIKeyZBCFKOLYOVAPKA-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.23
Rot. Bonds2

About (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone

(3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone (PubChem CID 15644312) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone
PubChem CID15644312
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name(3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone
SMILESCc1nc2ccccc2nc1C(=O)c1cccs1
InChIInChI=1S/C14H10N2OS/c1-9-13(14(17)12-7-4-8-18-12)16-11-6-3-2-5-10(11)15-9/h2-8H,1H3
InChIKeyZBCFKOLYOVAPKA-UHFFFAOYSA-N
XLogP3.23
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Chloro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxaline 1-oxide
CID 24205711
7-Chloro-2-(thien-2-ylcarbonyl)3-trifluoromethylquinoxaline-4-oxide
CID 46888071
Quinolin-2-yl(thiophen-2-yl)methanone
CID 63222793
2-(4-Fluorophenyl)sulfanyl-1-(3-methylquinoxalin-2-yl)ethanone
CID 146000101
(3-Methylsulfanylquinoxalin-2-yl)-phenylmethanone
CID 13162440
Pyrrolo[1,2-a]quinoxalin-4-yl(thiophen-2-yl)methanone
CID 155932106
(2-Methylquinolin-3-yl)-thiophen-2-ylmethanone
CID 164677279
7-Fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxaline 1-oxide
CID 24205709
2-(2-Aminoethylsulfanyl)-1-(3-methylquinoxalin-2-yl)ethanone
CID 145999083
N-[2-[2-(3-methylquinoxalin-2-yl)-2-oxo-ethyl]sulfanylethyl]thiophene-2-carboxamide
CID 145999172
1-(3-Methylquinoxalin-2-yl)-2-phenylsulfanyl-ethanone
CID 145999296
2-(1,3-Benzothiazol-2-ylsulfanyl)-1-(3-methylquinoxalin-2-yl)ethanone
CID 145999338

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone (CID 15644312) is (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone is Cc1nc2ccccc2nc1C(=O)c1cccs1.
What is the InChIKey of (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone?
The InChIKey is ZBCFKOLYOVAPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c1-9-13(14(17)12-7-4-8-18-12)16-11-6-3-2-5-10(11)15-9/h2-8H,1H3.
What are the key properties of (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone?
(3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone has a molecular weight of 254.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 15644312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).