5-chloro-8-[(3-chlorophenyl)methoxy]quinoline

C16H11Cl2NO — CID 56643075

IUPAC5-chloro-8-[(3-chlorophenyl)methoxy]quinoline
SMILESClc1cccc(COc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2
InChIKeyBIHPUIBBWFPTCY-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.12
Rot. Bonds3

About 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline

5-chloro-8-[(3-chlorophenyl)methoxy]quinoline (PubChem CID 56643075) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline.

Molecular Properties

Compound Name5-chloro-8-[(3-chlorophenyl)methoxy]quinoline
PubChem CID56643075
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name5-chloro-8-[(3-chlorophenyl)methoxy]quinoline
SMILESClc1cccc(COc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2
InChIKeyBIHPUIBBWFPTCY-UHFFFAOYSA-N
XLogP5.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline?
The IUPAC name of 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline (CID 56643075) is 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline.
What is the SMILES notation for 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline?
The canonical SMILES for 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline is Clc1cccc(COc2ccc(Cl)c3cccnc23)c1.
What is the InChIKey of 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline?
The InChIKey is BIHPUIBBWFPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-12-4-1-3-11(9-12)10-20-15-7-6-14(18)13-5-2-8-19-16(13)15/h1-9H,10H2.
What are the key properties of 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline?
5-chloro-8-[(3-chlorophenyl)methoxy]quinoline has a molecular weight of 304.18 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-[(3-chlorophenyl)methoxy]quinoline is sourced from PubChem (CID 56643075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).