N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C18H23N3O4S — CID 84993885

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N3O4S/c1-2-3-9-21(14-8-10-26(24,25)12-14)17(22)11-20-13-19-16-7-5-4-6-15(16)18(20)23/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyDFFOYFDHNHEBKX-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.21
Rot. Bonds6

About N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 84993885) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID84993885
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCCCCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H23N3O4S/c1-2-3-9-21(14-8-10-26(24,25)12-14)17(22)11-20-13-19-16-7-5-4-6-15(16)18(20)23/h4-7,13-14H,2-3,8-12H2,1H3
InChIKeyDFFOYFDHNHEBKX-UHFFFAOYSA-N
XLogP1.21
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 7628299
3-(6-bromo-4-oxoquinazolin-3-yl)-N-butyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55509697
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-4-yl)acetamide
CID 112795236
2-(benzotriazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 51189272
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 71897909
2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 24562190
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329765
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55507951
3-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 3937702
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51556320
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 41167231
N-cyclopropyl-2-(4-oxoquinazolin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 35753654

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 84993885) is N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide is CCCCN(C(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DFFOYFDHNHEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-2-3-9-21(14-8-10-26(24,25)12-14)17(22)11-20-13-19-16-7-5-4-6-15(16)18(20)23/h4-7,13-14H,2-3,8-12H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 377.47 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 84993885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).