2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide

C20H23N5O3 — CID 51937834

IUPAC2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESC[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCCCn1cccn1
InChIInChI=1S/C20H23N5O3/c1-20-9-8-18(27)25(20)16-7-3-2-6-15(16)19(28)24(20)14-17(26)21-10-4-12-23-13-5-11-22-23/h2-3,5-7,11,13H,4,8-10,12,14H2,1H3,(H,21,26)/t20-/m0/s1
InChIKeyCJJZTELTQONCKE-FQEVSTJZSA-N
MW381.44 g/mol
LogP1.39
Rot. Bonds6

About 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide

2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 51937834) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID51937834
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESC[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCCCn1cccn1
InChIInChI=1S/C20H23N5O3/c1-20-9-8-18(27)25(20)16-7-3-2-6-15(16)19(28)24(20)14-17(26)21-10-4-12-23-13-5-11-22-23/h2-3,5-7,11,13H,4,8-10,12,14H2,1H3,(H,21,26)/t20-/m0/s1
InChIKeyCJJZTELTQONCKE-FQEVSTJZSA-N
XLogP1.39
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide (CID 51937834) is 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide is C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NCCCn1cccn1.
What is the InChIKey of 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is CJJZTELTQONCKE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-20-9-8-18(27)25(20)16-7-3-2-6-15(16)19(28)24(20)14-17(26)21-10-4-12-23-13-5-11-22-23/h2-3,5-7,11,13H,4,8-10,12,14H2,1H3,(H,21,26)/t20-/m0/s1.
What are the key properties of 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide?
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 51937834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).