6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline

C12H16BrN — CID 142307156

IUPAC6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C12H16BrN/c1-2-4-9-7-11(13)8-10-5-3-6-14-12(9)10/h7-8,14H,2-6H2,1H3
InChIKeyHUYALEXZUSMMHF-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.76
Rot. Bonds2

About 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline

6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 142307156) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline
PubChem CID142307156
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCc1cc(Br)cc2c1NCCC2
InChIInChI=1S/C12H16BrN/c1-2-4-9-7-11(13)8-10-5-3-6-14-12(9)10/h7-8,14H,2-6H2,1H3
InChIKeyHUYALEXZUSMMHF-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline (CID 142307156) is 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline is CCCc1cc(Br)cc2c1NCCC2.
What is the InChIKey of 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HUYALEXZUSMMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-2-4-9-7-11(13)8-10-5-3-6-14-12(9)10/h7-8,14H,2-6H2,1H3.
What are the key properties of 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline?
6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 254.17 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142307156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).