8-chloro-4-(2,5-dimethylphenoxy)quinoline

C17H14ClNO — CID 19879064

IUPAC8-chloro-4-(2,5-dimethylphenoxy)quinoline
SMILESCc1ccc(C)c(Oc2ccnc3c(Cl)cccc23)c1
InChIInChI=1S/C17H14ClNO/c1-11-6-7-12(2)16(10-11)20-15-8-9-19-17-13(15)4-3-5-14(17)18/h3-10H,1-2H3
InChIKeyPOYWKTYGWXKZIL-UHFFFAOYSA-N
MW283.76 g/mol
LogP5.30
Rot. Bonds2

About 8-chloro-4-(2,5-dimethylphenoxy)quinoline

8-chloro-4-(2,5-dimethylphenoxy)quinoline (PubChem CID 19879064) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 8-chloro-4-(2,5-dimethylphenoxy)quinoline.

Molecular Properties

Compound Name8-chloro-4-(2,5-dimethylphenoxy)quinoline
PubChem CID19879064
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name8-chloro-4-(2,5-dimethylphenoxy)quinoline
SMILESCc1ccc(C)c(Oc2ccnc3c(Cl)cccc23)c1
InChIInChI=1S/C17H14ClNO/c1-11-6-7-12(2)16(10-11)20-15-8-9-19-17-13(15)4-3-5-14(17)18/h3-10H,1-2H3
InChIKeyPOYWKTYGWXKZIL-UHFFFAOYSA-N
XLogP5.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.76
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(2,5-dimethylphenoxy)quinoline?
The IUPAC name of 8-chloro-4-(2,5-dimethylphenoxy)quinoline (CID 19879064) is 8-chloro-4-(2,5-dimethylphenoxy)quinoline.
What is the SMILES notation for 8-chloro-4-(2,5-dimethylphenoxy)quinoline?
The canonical SMILES for 8-chloro-4-(2,5-dimethylphenoxy)quinoline is Cc1ccc(C)c(Oc2ccnc3c(Cl)cccc23)c1.
What is the InChIKey of 8-chloro-4-(2,5-dimethylphenoxy)quinoline?
The InChIKey is POYWKTYGWXKZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-11-6-7-12(2)16(10-11)20-15-8-9-19-17-13(15)4-3-5-14(17)18/h3-10H,1-2H3.
What are the key properties of 8-chloro-4-(2,5-dimethylphenoxy)quinoline?
8-chloro-4-(2,5-dimethylphenoxy)quinoline has a molecular weight of 283.76 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(2,5-dimethylphenoxy)quinoline is sourced from PubChem (CID 19879064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).