3-bromo-4-methoxy-2-methylquinoline

C11H10BrNO — CID 50915397

IUPAC3-bromo-4-methoxy-2-methylquinoline
SMILESCOc1c(Br)c(C)nc2ccccc12
InChIInChI=1S/C11H10BrNO/c1-7-10(12)11(14-2)8-5-3-4-6-9(8)13-7/h3-6H,1-2H3
InChIKeyWQQIOJOVLDWFTA-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.31
Rot. Bonds1

About 3-bromo-4-methoxy-2-methylquinoline

3-bromo-4-methoxy-2-methylquinoline (PubChem CID 50915397) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 3-bromo-4-methoxy-2-methylquinoline.

Molecular Properties

Compound Name3-bromo-4-methoxy-2-methylquinoline
PubChem CID50915397
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name3-bromo-4-methoxy-2-methylquinoline
SMILESCOc1c(Br)c(C)nc2ccccc12
InChIInChI=1S/C11H10BrNO/c1-7-10(12)11(14-2)8-5-3-4-6-9(8)13-7/h3-6H,1-2H3
InChIKeyWQQIOJOVLDWFTA-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

3-bromo-2-methylquinolin-4-amine;hydrochloride
CID 3022129
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
3,4-dimethoxy-2-(trifluoromethyl)quinoline
CID 69305906
1,4-dimethoxy-5-methylpyridazino[4,5-c]quinoline
CID 13266613
tert-butyl-(2,3-dimethylquinolin-4-yl)oxy-dimethylsilane
CID 58625508
1-bromo-2-methoxy-3-methylnaphthalene
CID 23018719
2-(4-methoxyphenyl)-4-methylquinazoline
CID 15566164
3,4-dichloro-2-methylquinoline;platinum
CID 159361617
2,4-dimethoxy-3-propylquinoline
CID 70166737
1-bromo-2-methoxy-9-phenylacridine
CID 11439907
9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
CID 141476648
3-(2-bromophenyl)-4-chloro-2-methylquinoline
CID 164671168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-2-methylquinoline?
The IUPAC name of 3-bromo-4-methoxy-2-methylquinoline (CID 50915397) is 3-bromo-4-methoxy-2-methylquinoline.
What is the SMILES notation for 3-bromo-4-methoxy-2-methylquinoline?
The canonical SMILES for 3-bromo-4-methoxy-2-methylquinoline is COc1c(Br)c(C)nc2ccccc12.
What is the InChIKey of 3-bromo-4-methoxy-2-methylquinoline?
The InChIKey is WQQIOJOVLDWFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-10(12)11(14-2)8-5-3-4-6-9(8)13-7/h3-6H,1-2H3.
What are the key properties of 3-bromo-4-methoxy-2-methylquinoline?
3-bromo-4-methoxy-2-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 3-bromo-4-methoxy-2-methylquinoline is sourced from PubChem (CID 50915397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).