6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one

C12H10BrNO2 — CID 165123375

IUPAC6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(C3COC3)c(Br)cc12
InChIInChI=1S/C12H10BrNO2/c13-10-3-9-11(14-2-1-12(9)15)4-8(10)7-5-16-6-7/h1-4,7H,5-6H2,(H,14,15)
InChIKeyJKKCFCQKQSQZDX-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.40
Rot. Bonds1

About 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one

6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one (PubChem CID 165123375) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one
PubChem CID165123375
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2cc(C3COC3)c(Br)cc12
InChIInChI=1S/C12H10BrNO2/c13-10-3-9-11(14-2-1-12(9)15)4-8(10)7-5-16-6-7/h1-4,7H,5-6H2,(H,14,15)
InChIKeyJKKCFCQKQSQZDX-UHFFFAOYSA-N
XLogP2.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one?
The IUPAC name of 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one (CID 165123375) is 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one is O=c1cc[nH]c2cc(C3COC3)c(Br)cc12.
What is the InChIKey of 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one?
The InChIKey is JKKCFCQKQSQZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-10-3-9-11(14-2-1-12(9)15)4-8(10)7-5-16-6-7/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one?
6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one has a molecular weight of 280.12 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one is sourced from PubChem (CID 165123375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).