7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline

C10H12BrN — CID 59606744

IUPAC7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1c(Br)ccc2c1NCCC2
InChIInChI=1S/C10H12BrN/c1-7-9(11)5-4-8-3-2-6-12-10(7)8/h4-5,12H,2-3,6H2,1H3
InChIKeyYVVCAURLZVWYQJ-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.12
Rot. Bonds

About 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline

7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 59606744) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID59606744
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1c(Br)ccc2c1NCCC2
InChIInChI=1S/C10H12BrN/c1-7-9(11)5-4-8-3-2-6-12-10(7)8/h4-5,12H,2-3,6H2,1H3
InChIKeyYVVCAURLZVWYQJ-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline (CID 59606744) is 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline is Cc1c(Br)ccc2c1NCCC2.
What is the InChIKey of 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is YVVCAURLZVWYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-9(11)5-4-8-3-2-6-12-10(7)8/h4-5,12H,2-3,6H2,1H3.
What are the key properties of 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline?
7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 226.12 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59606744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).