[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate

C21H21N3O4 — CID 7995397

IUPAC[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(C)N(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C21H21N3O4/c1-15(2)24(16-8-4-3-5-9-16)19(25)13-28-20(26)12-23-14-22-18-11-7-6-10-17(18)21(23)27/h3-11,14-15H,12-13H2,1-2H3
InChIKeyFBWSHOALSIXGGN-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.38
Rot. Bonds6

About [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 7995397) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID7995397
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESCC(C)N(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C21H21N3O4/c1-15(2)24(16-8-4-3-5-9-16)19(25)13-28-20(26)12-23-14-22-18-11-7-6-10-17(18)21(23)27/h3-11,14-15H,12-13H2,1-2H3
InChIKeyFBWSHOALSIXGGN-UHFFFAOYSA-N
XLogP2.38
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437012
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995599
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
[2-(2-ethylanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995489
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2482812
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 46649178
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995099
N-[(2R)-1-methoxypropan-2-yl]-N-methyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 95159752
(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate
CID 24683836
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-phenylacetate
CID 2354919
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7994898

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate (CID 7995397) is [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate is CC(C)N(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is FBWSHOALSIXGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-15(2)24(16-8-4-3-5-9-16)19(25)13-28-20(26)12-23-14-22-18-11-7-6-10-17(18)21(23)27/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate?
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 379.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 7995397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).