2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide

C20H17N5O4 — CID 45106636

IUPAC2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(CCc2nc(-c3ccccc3)no2)c(=O)c2ccccc21
InChIInChI=1S/C20H17N5O4/c21-16(26)12-25-15-9-5-4-8-14(15)19(27)24(20(25)28)11-10-17-22-18(23-29-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,26)
InChIKeyXFDXGWHLZHIIKQ-UHFFFAOYSA-N
MW391.39 g/mol
LogP0.94
Rot. Bonds6

About 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide

2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide (PubChem CID 45106636) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide
PubChem CID45106636
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(CCc2nc(-c3ccccc3)no2)c(=O)c2ccccc21
InChIInChI=1S/C20H17N5O4/c21-16(26)12-25-15-9-5-4-8-14(15)19(27)24(20(25)28)11-10-17-22-18(23-29-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,26)
InChIKeyXFDXGWHLZHIIKQ-UHFFFAOYSA-N
XLogP0.94
TPSA126.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20918614
N-(2,5-dimethoxyphenyl)-2-[3-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 20918619
1-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-phenylethyl)quinazoline-2,4-dione
CID 30850214
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 53100966
3-[(2R)-butan-2-yl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]quinazoline-2,4-dione
CID 30850022
3-propyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 131702454
N-(4-bromophenyl)-2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 46278498
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]dioxolo[4,5-g]quinazoline-6,8-dione
CID 20918643
10-[2-oxo-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acridin-9-one
CID 37249746
3-(2-thiophen-2-ylethyl)-1-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]quinazoline-2,4-dione
CID 95916832
2-[3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46278499
3-butyl-8-chloro-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]-7H-purine-2,6-dione
CID 59395482

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide?
The IUPAC name of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide (CID 45106636) is 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide.
What is the SMILES notation for 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide?
The canonical SMILES for 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide is NC(=O)Cn1c(=O)n(CCc2nc(-c3ccccc3)no2)c(=O)c2ccccc21.
What is the InChIKey of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide?
The InChIKey is XFDXGWHLZHIIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c21-16(26)12-25-15-9-5-4-8-14(15)19(27)24(20(25)28)11-10-17-22-18(23-29-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,26).
What are the key properties of 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide?
2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide has a molecular weight of 391.39 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]quinazolin-1-yl]acetamide is sourced from PubChem (CID 45106636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).