8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline

C65H47Cl7N4O4 — CID 161139158

IUPAC8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline
SMILESCc1cc(C)cc(Oc2ccnc3c(Cl)cccc23)c1.Cc1cccc(C)c1Oc1ccnc2c(Cl)cccc12.Cc1cccc(Cl)c1Oc1ccnc2c(Cl)cccc12.Clc1ccc(Cl)c(Oc2ccnc3c(Cl)cccc23)c1
InChIInChI=1S/2C17H14ClNO.C16H11Cl2NO.C15H8Cl3NO/c1-11-5-3-6-12(2)17(11)20-15-9-10-19-16-13(15)7-4-8-14(16)18;1-11-8-12(2)10-13(9-11)20-16-6-7-19-17-14(16)4-3-5-15(17)18;1-10-4-2-7-13(18)16(10)20-14-8-9-19-15-11(14)5-3-6-12(15)17;16-9-4-5-11(17)14(8-9)20-13-6-7-19-15-10(13)2-1-3-12(15)18/h2*3-10H,1-2H3;2-9H,1H3;1-8H
InChIKeyUNEWBOJKDHTKDU-UHFFFAOYSA-N
MW1196.29 g/mol
LogP22.22
Rot. Bonds8

About 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline

8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline (PubChem CID 161139158) has the molecular formula C65H47Cl7N4O4 and a molecular weight of 1196.29 g/mol. Its IUPAC name is 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline.

Molecular Properties

Compound Name8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline
PubChem CID161139158
Molecular FormulaC65H47Cl7N4O4
Molecular Weight1196.29 g/mol
Exact Mass1192.14
IUPAC Name8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline
SMILESCc1cc(C)cc(Oc2ccnc3c(Cl)cccc23)c1.Cc1cccc(C)c1Oc1ccnc2c(Cl)cccc12.Cc1cccc(Cl)c1Oc1ccnc2c(Cl)cccc12.Clc1ccc(Cl)c(Oc2ccnc3c(Cl)cccc23)c1
InChIInChI=1S/2C17H14ClNO.C16H11Cl2NO.C15H8Cl3NO/c1-11-5-3-6-12(2)17(11)20-15-9-10-19-16-13(15)7-4-8-14(16)18;1-11-8-12(2)10-13(9-11)20-16-6-7-19-17-14(16)4-3-5-15(17)18;1-10-4-2-7-13(18)16(10)20-14-8-9-19-15-11(14)5-3-6-12(15)17;16-9-4-5-11(17)14(8-9)20-13-6-7-19-15-10(13)2-1-3-12(15)18/h2*3-10H,1-2H3;2-9H,1H3;1-8H
InChIKeyUNEWBOJKDHTKDU-UHFFFAOYSA-N
XLogP22.22
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001196.29
LogP ≤ 522.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline?
The IUPAC name of 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline (CID 161139158) is 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline.
What is the SMILES notation for 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline?
The canonical SMILES for 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline is Cc1cc(C)cc(Oc2ccnc3c(Cl)cccc23)c1.Cc1cccc(C)c1Oc1ccnc2c(Cl)cccc12.Cc1cccc(Cl)c1Oc1ccnc2c(Cl)cccc12.Clc1ccc(Cl)c(Oc2ccnc3c(Cl)cccc23)c1.
What is the InChIKey of 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline?
The InChIKey is UNEWBOJKDHTKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14ClNO.C16H11Cl2NO.C15H8Cl3NO/c1-11-5-3-6-12(2)17(11)20-15-9-10-19-16-13(15)7-4-8-14(16)18;1-11-8-12(2)10-13(9-11)20-16-6-7-19-17-14(16)4-3-5-15(17)18;1-10-4-2-7-13(18)16(10)20-14-8-9-19-15-11(14)5-3-6-12(15)17;16-9-4-5-11(17)14(8-9)20-13-6-7-19-15-10(13)2-1-3-12(15)18/h2*3-10H,1-2H3;2-9H,1H3;1-8H.
What are the key properties of 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline?
8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline has a molecular weight of 1196.29 g/mol, XLogP of 22.22, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(2-chloro-6-methylphenoxy)quinoline;8-chloro-4-(2,5-dichlorophenoxy)quinoline;8-chloro-4-(2,6-dimethylphenoxy)quinoline;8-chloro-4-(3,5-dimethylphenoxy)quinoline is sourced from PubChem (CID 161139158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).