5-bromo-3-methoxy-1H-quinolin-2-one

C10H8BrNO2 — CID 90135547

IUPAC5-bromo-3-methoxy-1H-quinolin-2-one
SMILESCOc1cc2c(Br)cccc2[nH]c1=O
InChIInChI=1S/C10H8BrNO2/c1-14-9-5-6-7(11)3-2-4-8(6)12-10(9)13/h2-5H,1H3,(H,12,13)
InChIKeyRFMYZOXKZHKVNN-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.30
Rot. Bonds1

About 5-bromo-3-methoxy-1H-quinolin-2-one

5-bromo-3-methoxy-1H-quinolin-2-one (PubChem CID 90135547) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 5-bromo-3-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-bromo-3-methoxy-1H-quinolin-2-one
PubChem CID90135547
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name5-bromo-3-methoxy-1H-quinolin-2-one
SMILESCOc1cc2c(Br)cccc2[nH]c1=O
InChIInChI=1S/C10H8BrNO2/c1-14-9-5-6-7(11)3-2-4-8(6)12-10(9)13/h2-5H,1H3,(H,12,13)
InChIKeyRFMYZOXKZHKVNN-UHFFFAOYSA-N
XLogP2.30
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-1H-quinolin-2-one?
The IUPAC name of 5-bromo-3-methoxy-1H-quinolin-2-one (CID 90135547) is 5-bromo-3-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-bromo-3-methoxy-1H-quinolin-2-one?
The canonical SMILES for 5-bromo-3-methoxy-1H-quinolin-2-one is COc1cc2c(Br)cccc2[nH]c1=O.
What is the InChIKey of 5-bromo-3-methoxy-1H-quinolin-2-one?
The InChIKey is RFMYZOXKZHKVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-14-9-5-6-7(11)3-2-4-8(6)12-10(9)13/h2-5H,1H3,(H,12,13).
What are the key properties of 5-bromo-3-methoxy-1H-quinolin-2-one?
5-bromo-3-methoxy-1H-quinolin-2-one has a molecular weight of 254.08 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 90135547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).