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

C23H28N4O4 — CID 55631565

IUPAC2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H28N4O4/c1-23-11-8-20(29)27(23)18-5-3-2-4-17(18)22(31)26(23)14-19(28)24-16-9-12-25(13-10-16)21(30)15-6-7-15/h2-5,15-16H,6-14H2,1H3,(H,24,28)
InChIKeyRNMFUOMPTDZYJP-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.50
Rot. Bonds4

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

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide (PubChem CID 55631565) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
PubChem CID55631565
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H28N4O4/c1-23-11-8-20(29)27(23)18-5-3-2-4-17(18)22(31)26(23)14-19(28)24-16-9-12-25(13-10-16)21(30)15-6-7-15/h2-5,15-16H,6-14H2,1H3,(H,24,28)
InChIKeyRNMFUOMPTDZYJP-UHFFFAOYSA-N
XLogP1.50
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.50
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-(1-propylpiperidin-4-yl)acetamide
CID 55628675
1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55607266
2-[(3aS)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]acetic acid
CID 28819151
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(cyclohexylmethyl)acetamide
CID 75414434
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 120820123
4-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(thian-4-yl)butanamide
CID 52536446
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,6-difluorophenyl)acetamide
CID 55604936
2-[(3aR)-3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl]-N-(2,6-diethylphenyl)acetamide
CID 38688207
N'-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]pyridine-2-carbohydrazide
CID 55578331
3a-methyl-4-[2-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 55607692
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
CID 154737081
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 55578333

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-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide (CID 55631565) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-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-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide is CC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
The InChIKey is RNMFUOMPTDZYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-23-11-8-20(29)27(23)18-5-3-2-4-17(18)22(31)26(23)14-19(28)24-16-9-12-25(13-10-16)21(30)15-6-7-15/h2-5,15-16H,6-14H2,1H3,(H,24,28).
What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide?
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 1.50, 4 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-(cyclopropanecarbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 55631565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).