8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline

C18H15Cl2NO — CID 177306152

IUPAC8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline
SMILESCC(C)Oc1ccnc2c(-c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C18H15Cl2NO/c1-11(2)22-17-6-7-21-18-15(4-3-5-16(17)18)12-8-13(19)10-14(20)9-12/h3-11H,1-2H3
InChIKeyWBSHWKNVUFOUCZ-UHFFFAOYSA-N
MW332.23 g/mol
LogP6.00
Rot. Bonds3

About 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline

8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline (PubChem CID 177306152) has the molecular formula C18H15Cl2NO and a molecular weight of 332.23 g/mol. Its IUPAC name is 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline.

Molecular Properties

Compound Name8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline
PubChem CID177306152
Molecular FormulaC18H15Cl2NO
Molecular Weight332.23 g/mol
Exact Mass331.05
IUPAC Name8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline
SMILESCC(C)Oc1ccnc2c(-c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C18H15Cl2NO/c1-11(2)22-17-6-7-21-18-15(4-3-5-16(17)18)12-8-13(19)10-14(20)9-12/h3-11H,1-2H3
InChIKeyWBSHWKNVUFOUCZ-UHFFFAOYSA-N
XLogP6.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline?
The IUPAC name of 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline (CID 177306152) is 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline.
What is the SMILES notation for 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline?
The canonical SMILES for 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline is CC(C)Oc1ccnc2c(-c3cc(Cl)cc(Cl)c3)cccc12.
What is the InChIKey of 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline?
The InChIKey is WBSHWKNVUFOUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO/c1-11(2)22-17-6-7-21-18-15(4-3-5-16(17)18)12-8-13(19)10-14(20)9-12/h3-11H,1-2H3.
What are the key properties of 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline?
8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline has a molecular weight of 332.23 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,5-dichlorophenyl)-4-propan-2-yloxyquinoline is sourced from PubChem (CID 177306152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).