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

C24H34N4O3 — CID 60508043

IUPAC4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(CN1CCCCC1)NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C24H34N4O3/c1-18(17-26-14-6-3-7-15-26)25-21(29)11-8-16-27-23(31)19-9-4-5-10-20(19)28-22(30)12-13-24(27,28)2/h4-5,9-10,18H,3,6-8,11-17H2,1-2H3,(H,25,29)
InChIKeyMXZTXNPUEQDGRM-UHFFFAOYSA-N
MW426.56 g/mol
LogP2.76
Rot. Bonds7

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

4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide (PubChem CID 60508043) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide
PubChem CID60508043
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCC(CN1CCCCC1)NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CCC12C
InChIInChI=1S/C24H34N4O3/c1-18(17-26-14-6-3-7-15-26)25-21(29)11-8-16-27-23(31)19-9-4-5-10-20(19)28-22(30)12-13-24(27,28)2/h4-5,9-10,18H,3,6-8,11-17H2,1-2H3,(H,25,29)
InChIKeyMXZTXNPUEQDGRM-UHFFFAOYSA-N
XLogP2.76
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The IUPAC name of 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide (CID 60508043) is 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide is CC(CN1CCCCC1)NC(=O)CCCN1C(=O)c2ccccc2N2C(=O)CCC12C.
What is the InChIKey of 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
The InChIKey is MXZTXNPUEQDGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-18(17-26-14-6-3-7-15-26)25-21(29)11-8-16-27-23(31)19-9-4-5-10-20(19)28-22(30)12-13-24(27,28)2/h4-5,9-10,18H,3,6-8,11-17H2,1-2H3,(H,25,29).
What are the key properties of 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide?
4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide has a molecular weight of 426.56 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 60508043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).