3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

C17H19N3O2S — CID 71867240

IUPAC3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCCc1nc(C)c(C(=O)N2c3ccccc3NC(=O)C2C)s1
InChIInChI=1S/C17H19N3O2S/c1-4-7-14-18-10(2)15(23-14)17(22)20-11(3)16(21)19-12-8-5-6-9-13(12)20/h5-6,8-9,11H,4,7H2,1-3H3,(H,19,21)
InChIKeyDBCMULBJIPJQRI-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.39
Rot. Bonds3

About 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 71867240) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID71867240
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCCc1nc(C)c(C(=O)N2c3ccccc3NC(=O)C2C)s1
InChIInChI=1S/C17H19N3O2S/c1-4-7-14-18-10(2)15(23-14)17(22)20-11(3)16(21)19-12-8-5-6-9-13(12)20/h5-6,8-9,11H,4,7H2,1-3H3,(H,19,21)
InChIKeyDBCMULBJIPJQRI-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 71867240) is 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is CCCc1nc(C)c(C(=O)N2c3ccccc3NC(=O)C2C)s1.
What is the InChIKey of 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is DBCMULBJIPJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-4-7-14-18-10(2)15(23-14)17(22)20-11(3)16(21)19-12-8-5-6-9-13(12)20/h5-6,8-9,11H,4,7H2,1-3H3,(H,19,21).
What are the key properties of 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one?
3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 329.43 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 71867240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).