5,7-dichloro-4-phenylquinoline

C15H9Cl2N — CID 117062319

IUPAC5,7-dichloro-4-phenylquinoline
SMILESClc1cc(Cl)c2c(-c3ccccc3)ccnc2c1
InChIInChI=1S/C15H9Cl2N/c16-11-8-13(17)15-12(6-7-18-14(15)9-11)10-4-2-1-3-5-10/h1-9H
InChIKeyWAKCTGVNVZJILP-UHFFFAOYSA-N
MW274.15 g/mol
LogP5.21
Rot. Bonds1

About 5,7-dichloro-4-phenylquinoline

5,7-dichloro-4-phenylquinoline (PubChem CID 117062319) has the molecular formula C15H9Cl2N and a molecular weight of 274.15 g/mol. Its IUPAC name is 5,7-dichloro-4-phenylquinoline.

Molecular Properties

Compound Name5,7-dichloro-4-phenylquinoline
PubChem CID117062319
Molecular FormulaC15H9Cl2N
Molecular Weight274.15 g/mol
Exact Mass273.01
IUPAC Name5,7-dichloro-4-phenylquinoline
SMILESClc1cc(Cl)c2c(-c3ccccc3)ccnc2c1
InChIInChI=1S/C15H9Cl2N/c16-11-8-13(17)15-12(6-7-18-14(15)9-11)10-4-2-1-3-5-10/h1-9H
InChIKeyWAKCTGVNVZJILP-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.15
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-phenylquinoline?
The IUPAC name of 5,7-dichloro-4-phenylquinoline (CID 117062319) is 5,7-dichloro-4-phenylquinoline.
What is the SMILES notation for 5,7-dichloro-4-phenylquinoline?
The canonical SMILES for 5,7-dichloro-4-phenylquinoline is Clc1cc(Cl)c2c(-c3ccccc3)ccnc2c1.
What is the InChIKey of 5,7-dichloro-4-phenylquinoline?
The InChIKey is WAKCTGVNVZJILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N/c16-11-8-13(17)15-12(6-7-18-14(15)9-11)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5,7-dichloro-4-phenylquinoline?
5,7-dichloro-4-phenylquinoline has a molecular weight of 274.15 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-phenylquinoline is sourced from PubChem (CID 117062319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).