5-bromo-4-chloro-6-methoxy-2-methylquinoline

C11H9BrClNO — CID 82581093

IUPAC5-bromo-4-chloro-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(Cl)c2c1Br
InChIInChI=1S/C11H9BrClNO/c1-6-5-7(13)10-8(14-6)3-4-9(15-2)11(10)12/h3-5H,1-2H3
InChIKeyQTTVSABQEOSVOY-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.97
Rot. Bonds1

About 5-bromo-4-chloro-6-methoxy-2-methylquinoline

5-bromo-4-chloro-6-methoxy-2-methylquinoline (PubChem CID 82581093) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methoxy-2-methylquinoline.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methoxy-2-methylquinoline
PubChem CID82581093
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name5-bromo-4-chloro-6-methoxy-2-methylquinoline
SMILESCOc1ccc2nc(C)cc(Cl)c2c1Br
InChIInChI=1S/C11H9BrClNO/c1-6-5-7(13)10-8(14-6)3-4-9(15-2)11(10)12/h3-5H,1-2H3
InChIKeyQTTVSABQEOSVOY-UHFFFAOYSA-N
XLogP3.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5,7-dimethoxy-2-methylquinoline
CID 43668663
4,5,6-trichloro-2-methylquinoline
CID 69171121
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
1-bromo-2-methoxy-9-phenylacridine
CID 11439907
5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
7-bromo-2-chloro-6-methoxy-1,3-benzoxazole
CID 130140427
2-(4-chloro-8-methoxy-2-methylquinolin-5-yl)ethanamine
CID 82575640
2-(5-bromo-2,4-dimethylquinolin-6-yl)oxypropan-1-amine
CID 82580508
8-bromo-2,4-dichloro-5-methoxyquinoline;2,4-dichloro-5-methoxyquinoline
CID 158822791
7-chloro-4-methoxy-2-methylquinoline
CID 82581159
7-bromo-4-methoxy-2-methylquinoline
CID 82581190
4-chloro-8-methoxy-2-methylquinoline-5-carboximidamide
CID 82573526

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methoxy-2-methylquinoline?
The IUPAC name of 5-bromo-4-chloro-6-methoxy-2-methylquinoline (CID 82581093) is 5-bromo-4-chloro-6-methoxy-2-methylquinoline.
What is the SMILES notation for 5-bromo-4-chloro-6-methoxy-2-methylquinoline?
The canonical SMILES for 5-bromo-4-chloro-6-methoxy-2-methylquinoline is COc1ccc2nc(C)cc(Cl)c2c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methoxy-2-methylquinoline?
The InChIKey is QTTVSABQEOSVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c1-6-5-7(13)10-8(14-6)3-4-9(15-2)11(10)12/h3-5H,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-methoxy-2-methylquinoline?
5-bromo-4-chloro-6-methoxy-2-methylquinoline has a molecular weight of 286.56 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methoxy-2-methylquinoline is sourced from PubChem (CID 82581093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).