8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline

C12H13BrClN — CID 132589464

IUPAC8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)c2c(c1)CCC(C1CC1)N2
InChIInChI=1S/C12H13BrClN/c13-10-6-9(14)5-8-3-4-11(7-1-2-7)15-12(8)10/h5-7,11,15H,1-4H2
InChIKeyQKUBKLWPLRDRAC-UHFFFAOYSA-N
MW286.60 g/mol
LogP4.24
Rot. Bonds1

About 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline

8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline (PubChem CID 132589464) has the molecular formula C12H13BrClN and a molecular weight of 286.60 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline
PubChem CID132589464
Molecular FormulaC12H13BrClN
Molecular Weight286.60 g/mol
Exact Mass284.99
IUPAC Name8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline
SMILESClc1cc(Br)c2c(c1)CCC(C1CC1)N2
InChIInChI=1S/C12H13BrClN/c13-10-6-9(14)5-8-3-4-11(7-1-2-7)15-12(8)10/h5-7,11,15H,1-4H2
InChIKeyQKUBKLWPLRDRAC-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.60
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline (CID 132589464) is 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline is Clc1cc(Br)c2c(c1)CCC(C1CC1)N2.
What is the InChIKey of 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is QKUBKLWPLRDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN/c13-10-6-9(14)5-8-3-4-11(7-1-2-7)15-12(8)10/h5-7,11,15H,1-4H2.
What are the key properties of 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline?
8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 286.60 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-cyclopropyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).