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

C11H11BrN2O3 — CID 118616791

IUPAC7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C11H11BrN2O3/c1-16-4-5-17-9-6-13-10-3-2-8(12)7-14(10)11(9)15/h2-3,6-7H,4-5H2,1H3
InChIKeyCCHREYXSZHCCLB-UHFFFAOYSA-N
MW299.12 g/mol
LogP1.48
Rot. Bonds4

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

7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 118616791) has the molecular formula C11H11BrN2O3 and a molecular weight of 299.12 g/mol. Its IUPAC name is 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
PubChem CID118616791
Molecular FormulaC11H11BrN2O3
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCCOc1cnc2ccc(Br)cn2c1=O
InChIInChI=1S/C11H11BrN2O3/c1-16-4-5-17-9-6-13-10-3-2-8(12)7-14(10)11(9)15/h2-3,6-7H,4-5H2,1H3
InChIKeyCCHREYXSZHCCLB-UHFFFAOYSA-N
XLogP1.48
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one (CID 118616791) is 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one is COCCOc1cnc2ccc(Br)cn2c1=O.
What is the InChIKey of 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CCHREYXSZHCCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O3/c1-16-4-5-17-9-6-13-10-3-2-8(12)7-14(10)11(9)15/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one?
7-bromo-3-(2-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 299.12 g/mol, XLogP of 1.48, 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-methoxyethoxy)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118616791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).