8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline

C15H13BrClN — CID 132589764

IUPAC8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc(C2CCc3cccc(Br)c3N2)c1
InChIInChI=1S/C15H13BrClN/c16-13-6-2-3-10-7-8-14(18-15(10)13)11-4-1-5-12(17)9-11/h1-6,9,14,18H,7-8H2
InChIKeyHENZVIITESKYCL-UHFFFAOYSA-N
MW322.63 g/mol
LogP5.20
Rot. Bonds1

About 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline

8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 132589764) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID132589764
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc(C2CCc3cccc(Br)c3N2)c1
InChIInChI=1S/C15H13BrClN/c16-13-6-2-3-10-7-8-14(18-15(10)13)11-4-1-5-12(17)9-11/h1-6,9,14,18H,7-8H2
InChIKeyHENZVIITESKYCL-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.63
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589758
5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
CID 59009858
8-bromo-6-chloro-2-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 132589830
(3R)-3-(3-chlorophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404863
2-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)ethanamine
CID 84635560
1-(8-bromo-1,2,3,4-tetrahydroquinolin-2-yl)-N-methylmethanamine
CID 84635562
2-(3-chlorophenyl)pyrrolidin-3-one;hydrochloride
CID 115038654
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
6-(3-chlorophenyl)piperidine-2,5-dione
CID 22106591
5-(3-chlorophenyl)-1-methyl-1,4-diazepane
CID 82287491
7-chloro-3-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 101467783
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline (CID 132589764) is 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline is Clc1cccc(C2CCc3cccc(Br)c3N2)c1.
What is the InChIKey of 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is HENZVIITESKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-13-6-2-3-10-7-8-14(18-15(10)13)11-4-1-5-12(17)9-11/h1-6,9,14,18H,7-8H2.
What are the key properties of 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 322.63 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 132589764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).