1-bromo-2,4-dihydroquinolin-3-one

C9H8BrNO — CID 141048465

IUPAC1-bromo-2,4-dihydroquinolin-3-one
SMILESO=C1Cc2ccccc2N(Br)C1
InChIInChI=1S/C9H8BrNO/c10-11-6-8(12)5-7-3-1-2-4-9(7)11/h1-4H,5-6H2
InChIKeyDTNNBYXYLMQJJL-UHFFFAOYSA-N
MW226.07 g/mol
LogP1.93
Rot. Bonds

About 1-bromo-2,4-dihydroquinolin-3-one

1-bromo-2,4-dihydroquinolin-3-one (PubChem CID 141048465) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 1-bromo-2,4-dihydroquinolin-3-one.

Molecular Properties

Compound Name1-bromo-2,4-dihydroquinolin-3-one
PubChem CID141048465
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name1-bromo-2,4-dihydroquinolin-3-one
SMILESO=C1Cc2ccccc2N(Br)C1
InChIInChI=1S/C9H8BrNO/c10-11-6-8(12)5-7-3-1-2-4-9(7)11/h1-4H,5-6H2
InChIKeyDTNNBYXYLMQJJL-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one
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(3-oxo-2,4-dihydroquinolin-1-yl) formate
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1-phenyl-5H-1-benzazepine-2,4-dione
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2-bromo-3H-isoindol-1-one
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1-(2-sulfanylethyl)-3H-indol-2-one
CID 117030099
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CID 165358723
1-(2-hydroxyethyl)-3H-indol-2-one
CID 18624228
5-methyl-6,11-dihydrobenzo[c][1]benzazocin-12-one
CID 56958885
5-tert-butyl-6,7,8,9,10,12-hexahydrobenzo[b][1]benzazocin-11-one
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4-bromo-3,4-dihydro-1H-naphthalen-2-one
CID 143469044

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-dihydroquinolin-3-one?
The IUPAC name of 1-bromo-2,4-dihydroquinolin-3-one (CID 141048465) is 1-bromo-2,4-dihydroquinolin-3-one.
What is the SMILES notation for 1-bromo-2,4-dihydroquinolin-3-one?
The canonical SMILES for 1-bromo-2,4-dihydroquinolin-3-one is O=C1Cc2ccccc2N(Br)C1.
What is the InChIKey of 1-bromo-2,4-dihydroquinolin-3-one?
The InChIKey is DTNNBYXYLMQJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-11-6-8(12)5-7-3-1-2-4-9(7)11/h1-4H,5-6H2.
What are the key properties of 1-bromo-2,4-dihydroquinolin-3-one?
1-bromo-2,4-dihydroquinolin-3-one has a molecular weight of 226.07 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-dihydroquinolin-3-one is sourced from PubChem (CID 141048465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).