4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one

C18H22N4O2S — CID 167852626

IUPAC4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)(NCC(=O)N1CC(=O)Nc2ccccc21)c1nc(C)cs1
InChIInChI=1S/C18H22N4O2S/c1-4-18(3,17-20-12(2)11-25-17)19-9-16(24)22-10-15(23)21-13-7-5-6-8-14(13)22/h5-8,11,19H,4,9-10H2,1-3H3,(H,21,23)
InChIKeyZSKPTOKJSFKNBD-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.65
Rot. Bonds5

About 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 167852626) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID167852626
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)(NCC(=O)N1CC(=O)Nc2ccccc21)c1nc(C)cs1
InChIInChI=1S/C18H22N4O2S/c1-4-18(3,17-20-12(2)11-25-17)19-9-16(24)22-10-15(23)21-13-7-5-6-8-14(13)22/h5-8,11,19H,4,9-10H2,1-3H3,(H,21,23)
InChIKeyZSKPTOKJSFKNBD-UHFFFAOYSA-N
XLogP2.65
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetate
CID 71986453
4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2394470
3-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]-1-piperazin-1-ylpropan-1-one
CID 120982996
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-[2-(2-phenoxyanilino)acetyl]-1,3-dihydroquinoxalin-2-one
CID 9327531
benzyl-ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 8533354
4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2707110
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688
4-[2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2089366
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 167852626) is 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one is CCC(C)(NCC(=O)N1CC(=O)Nc2ccccc21)c1nc(C)cs1.
What is the InChIKey of 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZSKPTOKJSFKNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-4-18(3,17-20-12(2)11-25-17)19-9-16(24)22-10-15(23)21-13-7-5-6-8-14(13)22/h5-8,11,19H,4,9-10H2,1-3H3,(H,21,23).
What are the key properties of 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-ylamino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 167852626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).