4-chloro-6-phenoxyquinoline

C15H10ClNO — CID 43531961

IUPAC4-chloro-6-phenoxyquinoline
SMILESClc1ccnc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C15H10ClNO/c16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-10H
InChIKeyJVTJCMGFQPGDDT-UHFFFAOYSA-N
MW255.70 g/mol
LogP4.68
Rot. Bonds2

About 4-chloro-6-phenoxyquinoline

4-chloro-6-phenoxyquinoline (PubChem CID 43531961) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-6-phenoxyquinoline.

Molecular Properties

Compound Name4-chloro-6-phenoxyquinoline
PubChem CID43531961
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name4-chloro-6-phenoxyquinoline
SMILESClc1ccnc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C15H10ClNO/c16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-10H
InChIKeyJVTJCMGFQPGDDT-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenoxyquinoline?
The IUPAC name of 4-chloro-6-phenoxyquinoline (CID 43531961) is 4-chloro-6-phenoxyquinoline.
What is the SMILES notation for 4-chloro-6-phenoxyquinoline?
The canonical SMILES for 4-chloro-6-phenoxyquinoline is Clc1ccnc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of 4-chloro-6-phenoxyquinoline?
The InChIKey is JVTJCMGFQPGDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-14-8-9-17-15-7-6-12(10-13(14)15)18-11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-chloro-6-phenoxyquinoline?
4-chloro-6-phenoxyquinoline has a molecular weight of 255.70 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenoxyquinoline is sourced from PubChem (CID 43531961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).