7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one

C14H14BrN3O3 — CID 129048413

IUPAC7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCCN1CCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C14H14BrN3O3/c15-10-3-4-12-16-8-11(14(20)18(12)9-10)21-7-6-17-5-1-2-13(17)19/h3-4,8-9H,1-2,5-7H2
InChIKeyAVNMXBQNHUFOCJ-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.46
Rot. Bonds4

About 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one

7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 129048413) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one
PubChem CID129048413
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCCN1CCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C14H14BrN3O3/c15-10-3-4-12-16-8-11(14(20)18(12)9-10)21-7-6-17-5-1-2-13(17)19/h3-4,8-9H,1-2,5-7H2
InChIKeyAVNMXBQNHUFOCJ-UHFFFAOYSA-N
XLogP1.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one (CID 129048413) is 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one is O=C1CCCN1CCOc1cnc2ccc(Br)cn2c1=O.
What is the InChIKey of 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AVNMXBQNHUFOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c15-10-3-4-12-16-8-11(14(20)18(12)9-10)21-7-6-17-5-1-2-13(17)19/h3-4,8-9H,1-2,5-7H2.
What are the key properties of 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 352.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 129048413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).