6-bromo-2,3-dihydro-1H-quinolin-4-one

C9H8BrNO — CID 759447

IUPAC6-bromo-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2ccc(Br)cc21
InChIInChI=1S/C9H8BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
InChIKeyWAFBCQPOMZIGTJ-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.45
Rot. Bonds

About 6-bromo-2,3-dihydro-1H-quinolin-4-one

6-bromo-2,3-dihydro-1H-quinolin-4-one (PubChem CID 759447) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1H-quinolin-4-one
PubChem CID759447
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name6-bromo-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CCNc2ccc(Br)cc21
InChIInChI=1S/C9H8BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2
InChIKeyWAFBCQPOMZIGTJ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 6-bromo-2,3-dihydro-1H-quinolin-4-one (CID 759447) is 6-bromo-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 6-bromo-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 6-bromo-2,3-dihydro-1H-quinolin-4-one is O=C1CCNc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is WAFBCQPOMZIGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-6-1-2-8-7(5-6)9(12)3-4-11-8/h1-2,5,11H,3-4H2.
What are the key properties of 6-bromo-2,3-dihydro-1H-quinolin-4-one?
6-bromo-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 226.07 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 759447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).