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

C15H13BrClN — CID 59009858

IUPAC5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc(C2CCc3c(Br)cccc3N2)c1
InChIInChI=1S/C15H13BrClN/c16-13-5-2-6-15-12(13)7-8-14(18-15)10-3-1-4-11(17)9-10/h1-6,9,14,18H,7-8H2
InChIKeyFYLLYUPXBPFTAE-UHFFFAOYSA-N
MW322.63 g/mol
LogP5.20
Rot. Bonds1

About 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline

5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 59009858) has the molecular formula C15H13BrClN and a molecular weight of 322.63 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID59009858
Molecular FormulaC15H13BrClN
Molecular Weight322.63 g/mol
Exact Mass320.99
IUPAC Name5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline
SMILESClc1cccc(C2CCc3c(Br)cccc3N2)c1
InChIInChI=1S/C15H13BrClN/c16-13-5-2-6-15-12(13)7-8-14(18-15)10-3-1-4-11(17)9-10/h1-6,9,14,18H,7-8H2
InChIKeyFYLLYUPXBPFTAE-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline (CID 59009858) is 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline is Clc1cccc(C2CCc3c(Br)cccc3N2)c1.
What is the InChIKey of 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is FYLLYUPXBPFTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN/c16-13-5-2-6-15-12(13)7-8-14(18-15)10-3-1-4-11(17)9-10/h1-6,9,14,18H,7-8H2.
What are the key properties of 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline?
5-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 5-bromo-2-(3-chlorophenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 59009858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).