7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline

C10H12BrN — CID 71757147

IUPAC7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1Br)NCCC2
InChIInChI=1S/C10H12BrN/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h5-6,12H,2-4H2,1H3
InChIKeyXEXVCAAHFVTTHG-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.12
Rot. Bonds

About 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline

7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 71757147) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID71757147
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1Br)NCCC2
InChIInChI=1S/C10H12BrN/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h5-6,12H,2-4H2,1H3
InChIKeyXEXVCAAHFVTTHG-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-6-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline (CID 71757147) is 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc2c(cc1Br)NCCC2.
What is the InChIKey of 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is XEXVCAAHFVTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c1-7-5-8-3-2-4-12-10(8)6-9(7)11/h5-6,12H,2-4H2,1H3.
What are the key properties of 7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline?
7-bromo-6-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-6-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 71757147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).