1-bromo-6-methoxy-3-methylisoquinoline

C11H10BrNO — CID 165441613

IUPAC1-bromo-6-methoxy-3-methylisoquinoline
SMILESCOc1ccc2c(Br)nc(C)cc2c1
InChIInChI=1S/C11H10BrNO/c1-7-5-8-6-9(14-2)3-4-10(8)11(12)13-7/h3-6H,1-2H3
InChIKeyHLZKSFATZOOGIT-UHFFFAOYSA-N
MW252.11 g/mol
LogP3.31
Rot. Bonds1

About 1-bromo-6-methoxy-3-methylisoquinoline

1-bromo-6-methoxy-3-methylisoquinoline (PubChem CID 165441613) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 1-bromo-6-methoxy-3-methylisoquinoline.

Molecular Properties

Compound Name1-bromo-6-methoxy-3-methylisoquinoline
PubChem CID165441613
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name1-bromo-6-methoxy-3-methylisoquinoline
SMILESCOc1ccc2c(Br)nc(C)cc2c1
InChIInChI=1S/C11H10BrNO/c1-7-5-8-6-9(14-2)3-4-10(8)11(12)13-7/h3-6H,1-2H3
InChIKeyHLZKSFATZOOGIT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-7-methoxy-2-methylquinoline
CID 11550580
2-bromo-3-methoxy-4,6-dimethylpyridine
CID 46177892
1,2-bis(7-methoxy-3-methylisoquinolin-1-yl)hydrazine
CID 10407059
3,6-dimethoxy-1-methylisoquinoline
CID 169285036
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
N-tert-butyl-7-methoxy-2-methylquinolin-4-amine
CID 110433200
6-methoxy-1-methyl-3-(trifluoromethyl)isoquinoline
CID 154488566
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
4-bromo-3-iodo-7-methoxy-2-methylquinoline
CID 121236808
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344
7-methoxy-4-methylquinolin-2-amine
CID 53485904

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-methoxy-3-methylisoquinoline?
The IUPAC name of 1-bromo-6-methoxy-3-methylisoquinoline (CID 165441613) is 1-bromo-6-methoxy-3-methylisoquinoline.
What is the SMILES notation for 1-bromo-6-methoxy-3-methylisoquinoline?
The canonical SMILES for 1-bromo-6-methoxy-3-methylisoquinoline is COc1ccc2c(Br)nc(C)cc2c1.
What is the InChIKey of 1-bromo-6-methoxy-3-methylisoquinoline?
The InChIKey is HLZKSFATZOOGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c1-7-5-8-6-9(14-2)3-4-10(8)11(12)13-7/h3-6H,1-2H3.
What are the key properties of 1-bromo-6-methoxy-3-methylisoquinoline?
1-bromo-6-methoxy-3-methylisoquinoline 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 1-bromo-6-methoxy-3-methylisoquinoline is sourced from PubChem (CID 165441613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).