3-bromo-4-(4-chlorophenoxy)quinoline

C15H9BrClNO — CID 135029468

IUPAC3-bromo-4-(4-chlorophenoxy)quinoline
SMILESClc1ccc(Oc2c(Br)cnc3ccccc23)cc1
InChIInChI=1S/C15H9BrClNO/c16-13-9-18-14-4-2-1-3-12(14)15(13)19-11-7-5-10(17)6-8-11/h1-9H
InChIKeyINVFYSGHMPDEPB-UHFFFAOYSA-N
MW334.60 g/mol
LogP5.44
Rot. Bonds2

About 3-bromo-4-(4-chlorophenoxy)quinoline

3-bromo-4-(4-chlorophenoxy)quinoline (PubChem CID 135029468) has the molecular formula C15H9BrClNO and a molecular weight of 334.60 g/mol. Its IUPAC name is 3-bromo-4-(4-chlorophenoxy)quinoline.

Molecular Properties

Compound Name3-bromo-4-(4-chlorophenoxy)quinoline
PubChem CID135029468
Molecular FormulaC15H9BrClNO
Molecular Weight334.60 g/mol
Exact Mass332.96
IUPAC Name3-bromo-4-(4-chlorophenoxy)quinoline
SMILESClc1ccc(Oc2c(Br)cnc3ccccc23)cc1
InChIInChI=1S/C15H9BrClNO/c16-13-9-18-14-4-2-1-3-12(14)15(13)19-11-7-5-10(17)6-8-11/h1-9H
InChIKeyINVFYSGHMPDEPB-UHFFFAOYSA-N
XLogP5.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoxyfen
CID 3391107
5-Chloro-8-phenoxyquinoline
CID 2767025
4-Chloro-7-methoxyquinoline
CID 10607829
7-Chloro-4-(2-methoxyphenoxy)quinoline
CID 2442807
4-Chloro-7-(propan-2-yloxy)quinoline
CID 78324000
4-Chloro-6-methoxyquinoline
CID 228348
7-Chloro-4-methoxyquinoline
CID 1511030
1-Benzyl-7-chloro-4-hexoxyquinolin-1-ium bromide
CID 10433084
8-[(4-Bromophenyl)methoxy]quinoline
CID 902797
4-(4-Phenoxybutoxy)quinoline
CID 42631043
5-(7-chloroquinolin-4-yl)oxy-N,N-diethylpentan-1-amine
CID 24881538
4-(7-chloroquinolin-4-yl)oxy-N,N,N',N'-tetraethylheptane-1,7-diamine
CID 24881542

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-chlorophenoxy)quinoline?
The IUPAC name of 3-bromo-4-(4-chlorophenoxy)quinoline (CID 135029468) is 3-bromo-4-(4-chlorophenoxy)quinoline.
What is the SMILES notation for 3-bromo-4-(4-chlorophenoxy)quinoline?
The canonical SMILES for 3-bromo-4-(4-chlorophenoxy)quinoline is Clc1ccc(Oc2c(Br)cnc3ccccc23)cc1.
What is the InChIKey of 3-bromo-4-(4-chlorophenoxy)quinoline?
The InChIKey is INVFYSGHMPDEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO/c16-13-9-18-14-4-2-1-3-12(14)15(13)19-11-7-5-10(17)6-8-11/h1-9H.
What are the key properties of 3-bromo-4-(4-chlorophenoxy)quinoline?
3-bromo-4-(4-chlorophenoxy)quinoline has a molecular weight of 334.60 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-chlorophenoxy)quinoline is sourced from PubChem (CID 135029468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).