2-(bromomethyl)-8-methoxyquinolizin-4-one

C11H10BrNO2 — CID 155248612

IUPAC2-(bromomethyl)-8-methoxyquinolizin-4-one
SMILESCOc1ccn2c(=O)cc(CBr)cc2c1
InChIInChI=1S/C11H10BrNO2/c1-15-10-2-3-13-9(6-10)4-8(7-12)5-11(13)14/h2-6H,7H2,1H3
InChIKeyUTCVQQKQRBBHPH-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.20
Rot. Bonds2

About 2-(bromomethyl)-8-methoxyquinolizin-4-one

2-(bromomethyl)-8-methoxyquinolizin-4-one (PubChem CID 155248612) has the molecular formula C11H10BrNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-(bromomethyl)-8-methoxyquinolizin-4-one.

Molecular Properties

Compound Name2-(bromomethyl)-8-methoxyquinolizin-4-one
PubChem CID155248612
Molecular FormulaC11H10BrNO2
Molecular Weight268.11 g/mol
Exact Mass266.99
IUPAC Name2-(bromomethyl)-8-methoxyquinolizin-4-one
SMILESCOc1ccn2c(=O)cc(CBr)cc2c1
InChIInChI=1S/C11H10BrNO2/c1-15-10-2-3-13-9(6-10)4-8(7-12)5-11(13)14/h2-6H,7H2,1H3
InChIKeyUTCVQQKQRBBHPH-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-8-methoxyquinolizin-4-one?
The IUPAC name of 2-(bromomethyl)-8-methoxyquinolizin-4-one (CID 155248612) is 2-(bromomethyl)-8-methoxyquinolizin-4-one.
What is the SMILES notation for 2-(bromomethyl)-8-methoxyquinolizin-4-one?
The canonical SMILES for 2-(bromomethyl)-8-methoxyquinolizin-4-one is COc1ccn2c(=O)cc(CBr)cc2c1.
What is the InChIKey of 2-(bromomethyl)-8-methoxyquinolizin-4-one?
The InChIKey is UTCVQQKQRBBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2/c1-15-10-2-3-13-9(6-10)4-8(7-12)5-11(13)14/h2-6H,7H2,1H3.
What are the key properties of 2-(bromomethyl)-8-methoxyquinolizin-4-one?
2-(bromomethyl)-8-methoxyquinolizin-4-one has a molecular weight of 268.11 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-8-methoxyquinolizin-4-one is sourced from PubChem (CID 155248612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).