1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide

C26H28N4O4 — CID 55607266

IUPAC1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O4/c1-26-14-11-22(31)30(26)21-10-6-5-9-20(21)25(34)29(26)17-23(32)28-15-12-18(13-16-28)24(33)27-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,27,33)
InChIKeyKLTAPQIIIBMPFX-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55607266) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55607266
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C26H28N4O4/c1-26-14-11-22(31)30(26)21-10-6-5-9-20(21)25(34)29(26)17-23(32)28-15-12-18(13-16-28)24(33)27-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,27,33)
InChIKeyKLTAPQIIIBMPFX-UHFFFAOYSA-N
XLogP2.86
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.86
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-(cyclopropanecarbonyl)piperidin-4-yl]acetamide
CID 55631565
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
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3a-methyl-2,3-dihydropyrrolo[1,2-a]quinazoline-1,5-dione
CID 55604984
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(cyclohexylmethyl)acetamide
CID 75414434
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]acetamide
CID 166190560
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
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
1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
CID 55661000
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2-benzylpyrazol-3-yl)acetamide
CID 55584167
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55606473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide (CID 55607266) is 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide is CC12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is KLTAPQIIIBMPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-26-14-11-22(31)30(26)21-10-6-5-9-20(21)25(34)29(26)17-23(32)28-15-12-18(13-16-28)24(33)27-19-7-3-2-4-8-19/h2-10,18H,11-17H2,1H3,(H,27,33).
What are the key properties of 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55607266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).