6-bromo-2-methoxy-4H-quinolin-3-one

C10H8BrNO2 — CID 70040128

IUPAC6-bromo-2-methoxy-4H-quinolin-3-one
SMILESCOC1=Nc2ccc(Br)cc2CC1=O
InChIInChI=1S/C10H8BrNO2/c1-14-10-9(13)5-6-4-7(11)2-3-8(6)12-10/h2-4H,5H2,1H3
InChIKeyYBXDVJUXXNDSHR-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.25
Rot. Bonds

About 6-bromo-2-methoxy-4H-quinolin-3-one

6-bromo-2-methoxy-4H-quinolin-3-one (PubChem CID 70040128) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 6-bromo-2-methoxy-4H-quinolin-3-one.

Molecular Properties

Compound Name6-bromo-2-methoxy-4H-quinolin-3-one
PubChem CID70040128
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name6-bromo-2-methoxy-4H-quinolin-3-one
SMILESCOC1=Nc2ccc(Br)cc2CC1=O
InChIInChI=1S/C10H8BrNO2/c1-14-10-9(13)5-6-4-7(11)2-3-8(6)12-10/h2-4H,5H2,1H3
InChIKeyYBXDVJUXXNDSHR-UHFFFAOYSA-N
XLogP2.25
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-4H-quinolin-3-one?
The IUPAC name of 6-bromo-2-methoxy-4H-quinolin-3-one (CID 70040128) is 6-bromo-2-methoxy-4H-quinolin-3-one.
What is the SMILES notation for 6-bromo-2-methoxy-4H-quinolin-3-one?
The canonical SMILES for 6-bromo-2-methoxy-4H-quinolin-3-one is COC1=Nc2ccc(Br)cc2CC1=O.
What is the InChIKey of 6-bromo-2-methoxy-4H-quinolin-3-one?
The InChIKey is YBXDVJUXXNDSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c1-14-10-9(13)5-6-4-7(11)2-3-8(6)12-10/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-2-methoxy-4H-quinolin-3-one?
6-bromo-2-methoxy-4H-quinolin-3-one has a molecular weight of 254.08 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-4H-quinolin-3-one is sourced from PubChem (CID 70040128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).