4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

C21H20N4O2S — CID 1442861

IUPAC4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)c1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2n1
InChIInChI=1S/C21H20N4O2S/c1-13(2)20-23-15-8-4-3-7-14(15)21(24-20)28-12-19(27)25-11-18(26)22-16-9-5-6-10-17(16)25/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyBBDFSDPMFNFYKL-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.83
Rot. Bonds4

About 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 1442861) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID1442861
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(C)c1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2n1
InChIInChI=1S/C21H20N4O2S/c1-13(2)20-23-15-8-4-3-7-14(15)21(24-20)28-12-19(27)25-11-18(26)22-16-9-5-6-10-17(16)25/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyBBDFSDPMFNFYKL-UHFFFAOYSA-N
XLogP3.83
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
4-[2-(4,5,6-Trimethylpyrimidin-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 2161841
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
N-butyl-2-(2-propylquinazolin-4-yl)sulfanylacetamide
CID 3221482
2-(2-Ethyl-quinazolin-4-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652846
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(4-methyl-furazan-3-yl)-acetamide
CID 653427
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-phenothiazin-10-yl-ethanone
CID 1435140
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-[4-(diethylamino)-3-methylphenyl]acetamide
CID 1435145
N-(3-Acetylamino-phenyl)-2-(2-cyclopropyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1435153

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (CID 1442861) is 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is CC(C)c1nc(SCC(=O)N2CC(=O)Nc3ccccc32)c2ccccc2n1.
What is the InChIKey of 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is BBDFSDPMFNFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13(2)20-23-15-8-4-3-7-14(15)21(24-20)28-12-19(27)25-11-18(26)22-16-9-5-6-10-17(16)25/h3-10,13H,11-12H2,1-2H3,(H,22,26).
What are the key properties of 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 392.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 1442861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).