5-bromo-8-methoxy-7-methylquinoline

C11H10BrNO — CID 90145888

IUPAC5-bromo-8-methoxy-7-methylquinoline
SMILESCOc1c(C)cc(Br)c2cccnc12
InChIInChI=1S/C11H10BrNO/c1-7-6-9(12)8-4-3-5-13-10(8)11(7)14-2/h3-6H,1-2H3
InChIKeyGEKBBORNRBVNAZ-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.31
Rot. Bonds1

About 5-bromo-8-methoxy-7-methylquinoline

5-bromo-8-methoxy-7-methylquinoline (PubChem CID 90145888) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-bromo-8-methoxy-7-methylquinoline.

Molecular Properties

Compound Name5-bromo-8-methoxy-7-methylquinoline
PubChem CID90145888
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-bromo-8-methoxy-7-methylquinoline
SMILESCOc1c(C)cc(Br)c2cccnc12
InChIInChI=1S/C11H10BrNO/c1-7-6-9(12)8-4-3-5-13-10(8)11(7)14-2/h3-6H,1-2H3
InChIKeyGEKBBORNRBVNAZ-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,7-dibromo-8-methoxyquinoline
CID 10805403
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
7-bromo-8-(2-methoxyethoxymethoxy)-5-methylquinoline
CID 57425183
5,7-dibromo-8-but-2-enoxyquinoline
CID 4859559
3-(5,7-dibromoquinolin-8-yl)oxy-N-methylpropan-1-amine
CID 62597922
5,7-dimethyl-8-propan-2-yloxyquinoline
CID 143619091
7-bromo-8-methoxy-6H-1,6-naphthyridin-5-one
CID 142818668
(5,7-dibromoquinolin-8-yl) 4-chloro-3-methylbenzenesulfonate
CID 21240819
4-(5,7-dibromoquinolin-8-yl)oxybutan-1-amine
CID 62597239
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
2-(5,7-dibromoquinolin-8-yl)oxy-N-methylacetamide
CID 7866129
5-bromo-7-[3-(2-methoxyphenyl)propyl]quinolin-8-ol
CID 161006379

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-7-methylquinoline?
The IUPAC name of 5-bromo-8-methoxy-7-methylquinoline (CID 90145888) is 5-bromo-8-methoxy-7-methylquinoline.
What is the SMILES notation for 5-bromo-8-methoxy-7-methylquinoline?
The canonical SMILES for 5-bromo-8-methoxy-7-methylquinoline is COc1c(C)cc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-methoxy-7-methylquinoline?
The InChIKey is GEKBBORNRBVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-6-9(12)8-4-3-5-13-10(8)11(7)14-2/h3-6H,1-2H3.
What are the key properties of 5-bromo-8-methoxy-7-methylquinoline?
5-bromo-8-methoxy-7-methylquinoline has a molecular weight of 252.11 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-7-methylquinoline is sourced from PubChem (CID 90145888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).