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

C15H17N3OS — CID 63777825

IUPAC(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1sc(C(=O)N2CCN(C)c3ccccc32)cc1N
InChIInChI=1S/C15H17N3OS/c1-10-11(16)9-14(20-10)15(19)18-8-7-17(2)12-5-3-4-6-13(12)18/h3-6,9H,7-8,16H2,1-2H3
InChIKeyGIOGMJYUXSLOJM-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.74
Rot. Bonds1

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

(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 63777825) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID63777825
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1sc(C(=O)N2CCN(C)c3ccccc32)cc1N
InChIInChI=1S/C15H17N3OS/c1-10-11(16)9-14(20-10)15(19)18-8-7-17(2)12-5-3-4-6-13(12)18/h3-6,9H,7-8,16H2,1-2H3
InChIKeyGIOGMJYUXSLOJM-UHFFFAOYSA-N
XLogP2.74
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 63777825) is (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is Cc1sc(C(=O)N2CCN(C)c3ccccc32)cc1N.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is GIOGMJYUXSLOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-11(16)9-14(20-10)15(19)18-8-7-17(2)12-5-3-4-6-13(12)18/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
(4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 63777825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).