4-(4-chlorophenoxy)-2-methylquinoline

C16H12ClNO — CID 2798797

IUPAC4-(4-chlorophenoxy)-2-methylquinoline
SMILESCc1cc(Oc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C16H12ClNO/c1-11-10-16(14-4-2-3-5-15(14)18-11)19-13-8-6-12(17)7-9-13/h2-10H,1H3
InChIKeyADVCYMHBHCSXHA-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.99
Rot. Bonds2

About 4-(4-chlorophenoxy)-2-methylquinoline

4-(4-chlorophenoxy)-2-methylquinoline (PubChem CID 2798797) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-2-methylquinoline.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-2-methylquinoline
PubChem CID2798797
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name4-(4-chlorophenoxy)-2-methylquinoline
SMILESCc1cc(Oc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C16H12ClNO/c1-11-10-16(14-4-2-3-5-15(14)18-11)19-13-8-6-12(17)7-9-13/h2-10H,1H3
InChIKeyADVCYMHBHCSXHA-UHFFFAOYSA-N
XLogP4.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-2-methylquinoline?
The IUPAC name of 4-(4-chlorophenoxy)-2-methylquinoline (CID 2798797) is 4-(4-chlorophenoxy)-2-methylquinoline.
What is the SMILES notation for 4-(4-chlorophenoxy)-2-methylquinoline?
The canonical SMILES for 4-(4-chlorophenoxy)-2-methylquinoline is Cc1cc(Oc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 4-(4-chlorophenoxy)-2-methylquinoline?
The InChIKey is ADVCYMHBHCSXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c1-11-10-16(14-4-2-3-5-15(14)18-11)19-13-8-6-12(17)7-9-13/h2-10H,1H3.
What are the key properties of 4-(4-chlorophenoxy)-2-methylquinoline?
4-(4-chlorophenoxy)-2-methylquinoline has a molecular weight of 269.73 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-2-methylquinoline is sourced from PubChem (CID 2798797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).