7-bromo-1-methyl-3,4-dihydro-2H-quinoline

C10H12BrN — CID 82618152

IUPAC7-bromo-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6H2,1H3
InChIKeyFFZJBJFSFZZSCQ-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.83
Rot. Bonds

About 7-bromo-1-methyl-3,4-dihydro-2H-quinoline

7-bromo-1-methyl-3,4-dihydro-2H-quinoline (PubChem CID 82618152) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 7-bromo-1-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-bromo-1-methyl-3,4-dihydro-2H-quinoline
PubChem CID82618152
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name7-bromo-1-methyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2ccc(Br)cc21
InChIInChI=1S/C10H12BrN/c1-12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6H2,1H3
InChIKeyFFZJBJFSFZZSCQ-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-bromo-1-methyl-3,4-dihydro-2H-quinoline (CID 82618152) is 7-bromo-1-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-bromo-1-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-bromo-1-methyl-3,4-dihydro-2H-quinoline is CN1CCCc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is FFZJBJFSFZZSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 7-bromo-1-methyl-3,4-dihydro-2H-quinoline?
7-bromo-1-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 226.12 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 82618152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).