4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline

C30H16Cl2F2N2O — CID 141343991

IUPAC4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline
SMILESFc1ccc(Oc2ccc(F)c(Cl)c2-c2ccnc3ccccc23)c(-c2ccnc3ccccc23)c1Cl
InChIInChI=1S/C30H16Cl2F2N2O/c31-29-21(33)9-11-25(27(29)19-13-15-35-23-7-3-1-5-17(19)23)37-26-12-10-22(34)30(32)28(26)20-14-16-36-24-8-4-2-6-18(20)24/h1-16H
InChIKeyJBFSPFTUHYSXSA-UHFFFAOYSA-N
MW529.37 g/mol
LogP9.49
Rot. Bonds4

About 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline

4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline (PubChem CID 141343991) has the molecular formula C30H16Cl2F2N2O and a molecular weight of 529.37 g/mol. Its IUPAC name is 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline.

Molecular Properties

Compound Name4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline
PubChem CID141343991
Molecular FormulaC30H16Cl2F2N2O
Molecular Weight529.37 g/mol
Exact Mass528.06
IUPAC Name4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline
SMILESFc1ccc(Oc2ccc(F)c(Cl)c2-c2ccnc3ccccc23)c(-c2ccnc3ccccc23)c1Cl
InChIInChI=1S/C30H16Cl2F2N2O/c31-29-21(33)9-11-25(27(29)19-13-15-35-23-7-3-1-5-17(19)23)37-26-12-10-22(34)30(32)28(26)20-14-16-36-24-8-4-2-6-18(20)24/h1-16H
InChIKeyJBFSPFTUHYSXSA-UHFFFAOYSA-N
XLogP9.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.37
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline?
The IUPAC name of 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline (CID 141343991) is 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline.
What is the SMILES notation for 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline?
The canonical SMILES for 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline is Fc1ccc(Oc2ccc(F)c(Cl)c2-c2ccnc3ccccc23)c(-c2ccnc3ccccc23)c1Cl.
What is the InChIKey of 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline?
The InChIKey is JBFSPFTUHYSXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16Cl2F2N2O/c31-29-21(33)9-11-25(27(29)19-13-15-35-23-7-3-1-5-17(19)23)37-26-12-10-22(34)30(32)28(26)20-14-16-36-24-8-4-2-6-18(20)24/h1-16H.
What are the key properties of 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline?
4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline has a molecular weight of 529.37 g/mol, XLogP of 9.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-(3-chloro-4-fluoro-2-quinolin-4-ylphenoxy)-3-fluorophenyl]quinoline is sourced from PubChem (CID 141343991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).