(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

C15H15BrN2OS — CID 79955750

IUPAC(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)sc1Br
InChIInChI=1S/C15H15BrN2OS/c1-10-9-13(20-14(10)16)15(19)18-8-7-17(2)11-5-3-4-6-12(11)18/h3-6,9H,7-8H2,1-2H3
InChIKeyNBBMGHKBCLMUSS-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.92
Rot. Bonds1

About (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone

(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 79955750) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID79955750
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(C)c3ccccc32)sc1Br
InChIInChI=1S/C15H15BrN2OS/c1-10-9-13(20-14(10)16)15(19)18-8-7-17(2)11-5-3-4-6-12(11)18/h3-6,9H,7-8H2,1-2H3
InChIKeyNBBMGHKBCLMUSS-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 79955750) is (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is Cc1cc(C(=O)N2CCN(C)c3ccccc32)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is NBBMGHKBCLMUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-9-13(20-14(10)16)15(19)18-8-7-17(2)11-5-3-4-6-12(11)18/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 351.27 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 79955750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).