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

C24H21Cl2N5O3 — CID 55607367

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

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 55607367) has the molecular formula C24H21Cl2N5O3 and a molecular weight of 498.37 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
• PubChem CID: 55607367
• Molecular Formula: C24H21Cl2N5O3
• Molecular Weight: 498.37 g/mol
• Exact Mass: 497.10
• IUPAC Name: 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
• SMILES: CC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
• InChI: InChI=1S/C24H21Cl2N5O3/c1-24-10-8-22(33)31(24)19-5-3-2-4-17(19)23(34)29(24)14-21(32)28-20-9-11-27-30(20)13-15-6-7-16(25)12-18(15)26/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,28,32)
• InChIKey: FJINUBTZOXBNKS-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 87.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.37
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?

The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 55607367) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?

The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is CC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl.

What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?

The InChIKey is FJINUBTZOXBNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N5O3/c1-24-10-8-22(33)31(24)19-5-3-2-4-17(19)23(34)29(24)14-21(32)28-20-9-11-27-30(20)13-15-6-7-16(25)12-18(15)26/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,28,32).

What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 498.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55607367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).