9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline

C11H9BrN2O — CID 118935094

IUPAC9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline
SMILESBrc1ccc2ncc3c(c2c1)OCCN3
InChIInChI=1S/C11H9BrN2O/c12-7-1-2-9-8(5-7)11-10(6-14-9)13-3-4-15-11/h1-2,5-6,13H,3-4H2
InChIKeyCFSQOVCVHDMLDJ-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.80
Rot. Bonds

About 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline

9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline (PubChem CID 118935094) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline.

Molecular Properties

Compound Name9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline
PubChem CID118935094
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline
SMILESBrc1ccc2ncc3c(c2c1)OCCN3
InChIInChI=1S/C11H9BrN2O/c12-7-1-2-9-8(5-7)11-10(6-14-9)13-3-4-15-11/h1-2,5-6,13H,3-4H2
InChIKeyCFSQOVCVHDMLDJ-UHFFFAOYSA-N
XLogP2.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline?
The IUPAC name of 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline (CID 118935094) is 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline.
What is the SMILES notation for 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline?
The canonical SMILES for 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline is Brc1ccc2ncc3c(c2c1)OCCN3.
What is the InChIKey of 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline?
The InChIKey is CFSQOVCVHDMLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-7-1-2-9-8(5-7)11-10(6-14-9)13-3-4-15-11/h1-2,5-6,13H,3-4H2.
What are the key properties of 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline?
9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline has a molecular weight of 265.11 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-3,4-dihydro-2H-[1,4]oxazino[3,2-c]quinoline is sourced from PubChem (CID 118935094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).