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

C24H27N3O4 — CID 55609283

IUPAC2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
SMILESCCOCc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)cc1
InChIInChI=1S/C24H27N3O4/c1-3-31-16-18-10-8-17(9-11-18)14-25-21(28)15-26-23(30)19-6-4-5-7-20(19)27-22(29)12-13-24(26,27)2/h4-11H,3,12-16H2,1-2H3,(H,25,28)
InChIKeySPODEWUINNEMGL-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.84
Rot. Bonds7

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

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide (PubChem CID 55609283) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
PubChem CID55609283
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide
SMILESCCOCc1ccc(CNC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)cc1
InChIInChI=1S/C24H27N3O4/c1-3-31-16-18-10-8-17(9-11-18)14-25-21(28)15-26-23(30)19-6-4-5-7-20(19)27-22(29)12-13-24(26,27)2/h4-11H,3,12-16H2,1-2H3,(H,25,28)
InChIKeySPODEWUINNEMGL-UHFFFAOYSA-N
XLogP2.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 55578333
methyl 4-[2-[[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]amino]ethyl]benzoate
CID 55608229
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(cyclohexylmethyl)acetamide
CID 75414434
N-[2-[[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]amino]ethyl]-4-hydroxybenzamide
CID 55868464
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetic acid
CID 28819151
2-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(2,6-diethylphenyl)acetamide
CID 38688207
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55908095
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 55631735
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 56561342
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(3-pyrazol-1-ylpropyl)acetamide
CID 51937834
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]acetamide
CID 55723472
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,6-difluorophenyl)acetamide
CID 55604936

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-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide (CID 55609283) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide is CCOCc1ccc(CNC(=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-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is SPODEWUINNEMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-3-31-16-18-10-8-17(9-11-18)14-25-21(28)15-26-23(30)19-6-4-5-7-20(19)27-22(29)12-13-24(26,27)2/h4-11H,3,12-16H2,1-2H3,(H,25,28).
What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide?
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[[4-(ethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 421.50 g/mol, XLogP of 2.84, 7 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-[[4-(ethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55609283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).