7-bromo-6-methoxyquinoline

C10H8BrNO — CID 14566897

IUPAC7-bromo-6-methoxyquinoline
SMILESCOc1cc2cccnc2cc1Br
InChIInChI=1S/C10H8BrNO/c1-13-10-5-7-3-2-4-12-9(7)6-8(10)11/h2-6H,1H3
InChIKeyPUVNBWJBWQUILR-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.01
Rot. Bonds1

About 7-bromo-6-methoxyquinoline

7-bromo-6-methoxyquinoline (PubChem CID 14566897) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 7-bromo-6-methoxyquinoline.

Molecular Properties

Compound Name7-bromo-6-methoxyquinoline
PubChem CID14566897
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name7-bromo-6-methoxyquinoline
SMILESCOc1cc2cccnc2cc1Br
InChIInChI=1S/C10H8BrNO/c1-13-10-5-7-3-2-4-12-9(7)6-8(10)11/h2-6H,1H3
InChIKeyPUVNBWJBWQUILR-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxyquinoline-7-carboxylic acid
CID 131314399
(3-bromo-4-methoxyphenyl)-quinolin-7-ylmethanol
CID 81196495
7-butoxy-6-methoxyquinoline
CID 161197918
7-[(3-bromo-4-methoxyphenyl)methoxy]quinoline
CID 107314495
3-(6-methoxyquinolin-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 76540190
6-bromo-7-chloroquinoline
CID 14548344
6,7-dimethoxy-2-tritioquinoline
CID 173196724
7-bromo-6-methoxy-1-methylisoquinoline
CID 84707562
7-bromo-6-[[1-(cyclopropylmethyl)aziridin-2-yl]methoxy]quinoline
CID 154879817
ethene;6-methoxyquinoline
CID 174599262
5-[(7-bromoquinolin-6-yl)oxymethyl]-3-cyclopropyl-1,2-oxazole
CID 167853385
6-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline
CID 172878085

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxyquinoline?
The IUPAC name of 7-bromo-6-methoxyquinoline (CID 14566897) is 7-bromo-6-methoxyquinoline.
What is the SMILES notation for 7-bromo-6-methoxyquinoline?
The canonical SMILES for 7-bromo-6-methoxyquinoline is COc1cc2cccnc2cc1Br.
What is the InChIKey of 7-bromo-6-methoxyquinoline?
The InChIKey is PUVNBWJBWQUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-13-10-5-7-3-2-4-12-9(7)6-8(10)11/h2-6H,1H3.
What are the key properties of 7-bromo-6-methoxyquinoline?
7-bromo-6-methoxyquinoline has a molecular weight of 238.08 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methoxyquinoline is sourced from PubChem (CID 14566897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).