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

C20H20N4O4 — CID 154737081

IUPAC2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)ccc1=O
InChIInChI=1S/C20H20N4O4/c1-20-10-9-18(27)24(20)15-6-4-3-5-14(15)19(28)23(20)12-16(25)21-13-7-8-17(26)22(2)11-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)
InChIKeySFDRYNKFOVTYTG-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.32
Rot. Bonds3

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

2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 154737081) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
PubChem CID154737081
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide
SMILESCn1cc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)ccc1=O
InChIInChI=1S/C20H20N4O4/c1-20-10-9-18(27)24(20)15-6-4-3-5-14(15)19(28)23(20)12-16(25)21-13-7-8-17(26)22(2)11-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,25)
InChIKeySFDRYNKFOVTYTG-UHFFFAOYSA-N
XLogP1.32
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 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) is 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide is Cn1cc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)CCC23C)ccc1=O.
What is the InChIKey of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is SFDRYNKFOVTYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-20-10-9-18(27)24(20)15-6-4-3-5-14(15)19(28)23(20)12-16(25)21-13-7-8-17(26)22(2)11-13/h3-8,11H,9-10,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide?
2-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-(1-methyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-methyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 154737081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).