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

C21H25N5O3 — CID 75418165

IUPAC2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCN(Cc1cnn(C)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C21H25N5O3/c1-4-24(13-15-11-22-23(3)12-15)19(28)14-25-20(29)16-7-5-6-8-17(16)26-18(27)9-10-21(25,26)2/h5-8,11-12H,4,9-10,13-14H2,1-3H3
InChIKeyQJJHDSALYQMCMO-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.77
Rot. Bonds5

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

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 75418165) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID75418165
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCCN(Cc1cnn(C)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C21H25N5O3/c1-4-24(13-15-11-22-23(3)12-15)19(28)14-25-20(29)16-7-5-6-8-17(16)26-18(27)9-10-21(25,26)2/h5-8,11-12H,4,9-10,13-14H2,1-3H3
InChIKeyQJJHDSALYQMCMO-UHFFFAOYSA-N
XLogP1.77
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.77
H-Bond Donors ≤ 50
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-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 75418165) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CCN(Cc1cnn(C)c1)C(=O)CN1C(=O)c2ccccc2N2C(=O)CCC12C.
What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is QJJHDSALYQMCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-4-24(13-15-11-22-23(3)12-15)19(28)14-25-20(29)16-7-5-6-8-17(16)26-18(27)9-10-21(25,26)2/h5-8,11-12H,4,9-10,13-14H2,1-3H3.
What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 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-ethyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 75418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).