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

C24H23N5O3 — CID 55584167

IUPAC2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C24H23N5O3/c1-24-13-11-22(31)29(24)19-10-6-5-9-18(19)23(32)27(24)16-21(30)26-20-12-14-25-28(20)15-17-7-3-2-4-8-17/h2-10,12,14H,11,13,15-16H2,1H3,(H,26,30)
InChIKeyDFVGVRTUGOPOFX-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.87
Rot. Bonds5

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

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide (PubChem CID 55584167) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide
PubChem CID55584167
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C24H23N5O3/c1-24-13-11-22(31)29(24)19-10-6-5-9-18(19)23(32)27(24)16-21(30)26-20-12-14-25-28(20)15-17-7-3-2-4-8-17/h2-10,12,14H,11,13,15-16H2,1H3,(H,26,30)
InChIKeyDFVGVRTUGOPOFX-UHFFFAOYSA-N
XLogP2.87
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-benzylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide (CID 55584167) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-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-benzylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide is CC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide?
The InChIKey is DFVGVRTUGOPOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-24-13-11-22(31)29(24)19-10-6-5-9-18(19)23(32)27(24)16-21(30)26-20-12-14-25-28(20)15-17-7-3-2-4-8-17/h2-10,12,14H,11,13,15-16H2,1H3,(H,26,30).
What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide?
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 2.87, 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-benzylpyrazol-3-yl)acetamide is sourced from PubChem (CID 55584167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).