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

C22H30N4O3 — CID 55628675

IUPAC2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)CC1
InChIInChI=1S/C22H30N4O3/c1-3-12-24-13-9-16(10-14-24)23-19(27)15-25-21(29)17-6-4-5-7-18(17)26-20(28)8-11-22(25,26)2/h4-7,16H,3,8-15H2,1-2H3,(H,23,27)
InChIKeyHBOZKMSEJLUKNL-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.98
Rot. Bonds5

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

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 55628675) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID55628675
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)CC1
InChIInChI=1S/C22H30N4O3/c1-3-12-24-13-9-16(10-14-24)23-19(27)15-25-21(29)17-6-4-5-7-18(17)26-20(28)8-11-22(25,26)2/h4-7,16H,3,8-15H2,1-2H3,(H,23,27)
InChIKeyHBOZKMSEJLUKNL-UHFFFAOYSA-N
XLogP1.98
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)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-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide (CID 55628675) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)CC1.
What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is HBOZKMSEJLUKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-3-12-24-13-9-16(10-14-24)23-19(27)15-25-21(29)17-6-4-5-7-18(17)26-20(28)8-11-22(25,26)2/h4-7,16H,3,8-15H2,1-2H3,(H,23,27).
What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide?
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 55628675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).