[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate

C22H19N3O5 — CID 42925701

IUPAC[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate
SMILESCC(OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3O5/c1-13(20(27)16-12-23-17-8-4-2-6-14(16)17)30-19(26)10-11-25-18-9-5-3-7-15(18)21(28)24-22(25)29/h2-9,12-13,23H,10-11H2,1H3,(H,24,28,29)
InChIKeyYHZJGMDLHNABIT-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.38
Rot. Bonds6

About [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate

[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate (PubChem CID 42925701) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate.

Molecular Properties

Compound Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate
PubChem CID42925701
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate
SMILESCC(OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3O5/c1-13(20(27)16-12-23-17-8-4-2-6-14(16)17)30-19(26)10-11-25-18-9-5-3-7-15(18)21(28)24-22(25)29/h2-9,12-13,23H,10-11H2,1H3,(H,24,28,29)
InChIKeyYHZJGMDLHNABIT-UHFFFAOYSA-N
XLogP2.38
TPSA114.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate 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

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 9063777
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoate
CID 47094354
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676157
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7555308
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 9139492
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-oxo-4-(propylamino)butanoate
CID 95316821
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 42900383
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928077
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212497
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 42984043

Frequently Asked Questions

What is the IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate?
The IUPAC name of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate (CID 42925701) is [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate.
What is the SMILES notation for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate?
The canonical SMILES for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate is CC(OC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate?
The InChIKey is YHZJGMDLHNABIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-13(20(27)16-12-23-17-8-4-2-6-14(16)17)30-19(26)10-11-25-18-9-5-3-7-15(18)21(28)24-22(25)29/h2-9,12-13,23H,10-11H2,1H3,(H,24,28,29).
What are the key properties of [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate?
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate has a molecular weight of 405.41 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(2,4-dioxoquinazolin-1-yl)propanoate is sourced from PubChem (CID 42925701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).