4-(4-bromophenyl)sulfanyl-7-chloroquinoline

C15H9BrClNS — CID 2573783

IUPAC4-(4-bromophenyl)sulfanyl-7-chloroquinoline
SMILESClc1ccc2c(Sc3ccc(Br)cc3)ccnc2c1
InChIInChI=1S/C15H9BrClNS/c16-10-1-4-12(5-2-10)19-15-7-8-18-14-9-11(17)3-6-13(14)15/h1-9H
InChIKeyYTFMKBASYZRXBX-UHFFFAOYSA-N
MW350.67 g/mol
LogP5.80
Rot. Bonds2

About 4-(4-bromophenyl)sulfanyl-7-chloroquinoline

4-(4-bromophenyl)sulfanyl-7-chloroquinoline (PubChem CID 2573783) has the molecular formula C15H9BrClNS and a molecular weight of 350.67 g/mol. Its IUPAC name is 4-(4-bromophenyl)sulfanyl-7-chloroquinoline.

Molecular Properties

Compound Name4-(4-bromophenyl)sulfanyl-7-chloroquinoline
PubChem CID2573783
Molecular FormulaC15H9BrClNS
Molecular Weight350.67 g/mol
Exact Mass348.93
IUPAC Name4-(4-bromophenyl)sulfanyl-7-chloroquinoline
SMILESClc1ccc2c(Sc3ccc(Br)cc3)ccnc2c1
InChIInChI=1S/C15H9BrClNS/c16-10-1-4-12(5-2-10)19-15-7-8-18-14-9-11(17)3-6-13(14)15/h1-9H
InChIKeyYTFMKBASYZRXBX-UHFFFAOYSA-N
XLogP5.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.67
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)sulfanyl-7-chloroquinoline?
The IUPAC name of 4-(4-bromophenyl)sulfanyl-7-chloroquinoline (CID 2573783) is 4-(4-bromophenyl)sulfanyl-7-chloroquinoline.
What is the SMILES notation for 4-(4-bromophenyl)sulfanyl-7-chloroquinoline?
The canonical SMILES for 4-(4-bromophenyl)sulfanyl-7-chloroquinoline is Clc1ccc2c(Sc3ccc(Br)cc3)ccnc2c1.
What is the InChIKey of 4-(4-bromophenyl)sulfanyl-7-chloroquinoline?
The InChIKey is YTFMKBASYZRXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNS/c16-10-1-4-12(5-2-10)19-15-7-8-18-14-9-11(17)3-6-13(14)15/h1-9H.
What are the key properties of 4-(4-bromophenyl)sulfanyl-7-chloroquinoline?
4-(4-bromophenyl)sulfanyl-7-chloroquinoline has a molecular weight of 350.67 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)sulfanyl-7-chloroquinoline is sourced from PubChem (CID 2573783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).