4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide

C24H28N4O3 — CID 78859579

IUPAC4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CCC23C)c(C)n1
InChIInChI=1S/C24H28N4O3/c1-15-14-16(2)25-17(3)22(15)26-20(29)10-7-13-27-23(31)18-8-5-6-9-19(18)28-21(30)11-12-24(27,28)4/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,26,29)
InChIKeyJKENQDKVIZLBPT-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.72
Rot. Bonds5

About 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide

4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide (PubChem CID 78859579) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
PubChem CID78859579
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CCC23C)c(C)n1
InChIInChI=1S/C24H28N4O3/c1-15-14-16(2)25-17(3)22(15)26-20(29)10-7-13-27-23(31)18-8-5-6-9-19(18)28-21(30)11-12-24(27,28)4/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,26,29)
InChIKeyJKENQDKVIZLBPT-UHFFFAOYSA-N
XLogP3.72
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.72
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-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The IUPAC name of 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide (CID 78859579) is 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide.
What is the SMILES notation for 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The canonical SMILES for 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide is Cc1cc(C)c(NC(=O)CCCN2C(=O)c3ccccc3N3C(=O)CCC23C)c(C)n1.
What is the InChIKey of 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
The InChIKey is JKENQDKVIZLBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-14-16(2)25-17(3)22(15)26-20(29)10-7-13-27-23(31)18-8-5-6-9-19(18)28-21(30)11-12-24(27,28)4/h5-6,8-9,14H,7,10-13H2,1-4H3,(H,26,29).
What are the key properties of 4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide?
4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)butanamide has a molecular weight of 420.51 g/mol, XLogP of 3.72, 5 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-(2,4,6-trimethyl-3-pyridinyl)butanamide is sourced from PubChem (CID 78859579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).