2,4-dichloro-8-propan-2-yloxyquinoline

C12H11Cl2NO — CID 82581120

IUPAC2,4-dichloro-8-propan-2-yloxyquinoline
SMILESCC(C)Oc1cccc2c(Cl)cc(Cl)nc12
InChIInChI=1S/C12H11Cl2NO/c1-7(2)16-10-5-3-4-8-9(13)6-11(14)15-12(8)10/h3-7H,1-2H3
InChIKeyPTRFJZOJEUDZDE-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.33
Rot. Bonds2

About 2,4-dichloro-8-propan-2-yloxyquinoline

2,4-dichloro-8-propan-2-yloxyquinoline (PubChem CID 82581120) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 2,4-dichloro-8-propan-2-yloxyquinoline.

Molecular Properties

Compound Name2,4-dichloro-8-propan-2-yloxyquinoline
PubChem CID82581120
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name2,4-dichloro-8-propan-2-yloxyquinoline
SMILESCC(C)Oc1cccc2c(Cl)cc(Cl)nc12
InChIInChI=1S/C12H11Cl2NO/c1-7(2)16-10-5-3-4-8-9(13)6-11(14)15-12(8)10/h3-7H,1-2H3
InChIKeyPTRFJZOJEUDZDE-UHFFFAOYSA-N
XLogP4.33
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-8-propan-2-yloxyquinoline?
The IUPAC name of 2,4-dichloro-8-propan-2-yloxyquinoline (CID 82581120) is 2,4-dichloro-8-propan-2-yloxyquinoline.
What is the SMILES notation for 2,4-dichloro-8-propan-2-yloxyquinoline?
The canonical SMILES for 2,4-dichloro-8-propan-2-yloxyquinoline is CC(C)Oc1cccc2c(Cl)cc(Cl)nc12.
What is the InChIKey of 2,4-dichloro-8-propan-2-yloxyquinoline?
The InChIKey is PTRFJZOJEUDZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7(2)16-10-5-3-4-8-9(13)6-11(14)15-12(8)10/h3-7H,1-2H3.
What are the key properties of 2,4-dichloro-8-propan-2-yloxyquinoline?
2,4-dichloro-8-propan-2-yloxyquinoline has a molecular weight of 256.13 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-8-propan-2-yloxyquinoline is sourced from PubChem (CID 82581120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).