4,5-dichloro-2-ethyl-8-phenoxyquinoline

C17H13Cl2NO — CID 43668549

IUPAC4,5-dichloro-2-ethyl-8-phenoxyquinoline
SMILESCCc1cc(Cl)c2c(Cl)ccc(Oc3ccccc3)c2n1
InChIInChI=1S/C17H13Cl2NO/c1-2-11-10-14(19)16-13(18)8-9-15(17(16)20-11)21-12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyGNOHPNPOTJPEMP-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.90
Rot. Bonds3

About 4,5-dichloro-2-ethyl-8-phenoxyquinoline

4,5-dichloro-2-ethyl-8-phenoxyquinoline (PubChem CID 43668549) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 4,5-dichloro-2-ethyl-8-phenoxyquinoline.

Molecular Properties

Compound Name4,5-dichloro-2-ethyl-8-phenoxyquinoline
PubChem CID43668549
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name4,5-dichloro-2-ethyl-8-phenoxyquinoline
SMILESCCc1cc(Cl)c2c(Cl)ccc(Oc3ccccc3)c2n1
InChIInChI=1S/C17H13Cl2NO/c1-2-11-10-14(19)16-13(18)8-9-15(17(16)20-11)21-12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyGNOHPNPOTJPEMP-UHFFFAOYSA-N
XLogP5.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-ethyl-8-phenoxyquinoline?
The IUPAC name of 4,5-dichloro-2-ethyl-8-phenoxyquinoline (CID 43668549) is 4,5-dichloro-2-ethyl-8-phenoxyquinoline.
What is the SMILES notation for 4,5-dichloro-2-ethyl-8-phenoxyquinoline?
The canonical SMILES for 4,5-dichloro-2-ethyl-8-phenoxyquinoline is CCc1cc(Cl)c2c(Cl)ccc(Oc3ccccc3)c2n1.
What is the InChIKey of 4,5-dichloro-2-ethyl-8-phenoxyquinoline?
The InChIKey is GNOHPNPOTJPEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c1-2-11-10-14(19)16-13(18)8-9-15(17(16)20-11)21-12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of 4,5-dichloro-2-ethyl-8-phenoxyquinoline?
4,5-dichloro-2-ethyl-8-phenoxyquinoline has a molecular weight of 318.20 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-ethyl-8-phenoxyquinoline is sourced from PubChem (CID 43668549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).