2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline

C13H13Cl2NO — CID 82581132

IUPAC2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCC(C)(C)Oc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C13H13Cl2NO/c1-13(2,3)17-8-4-5-11-9(6-8)10(14)7-12(15)16-11/h4-7H,1-3H3
InChIKeyUNWXWFUOFFXIDO-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.72
Rot. Bonds1

About 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline

2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline (PubChem CID 82581132) has the molecular formula C13H13Cl2NO and a molecular weight of 270.16 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline
PubChem CID82581132
Molecular FormulaC13H13Cl2NO
Molecular Weight270.16 g/mol
Exact Mass269.04
IUPAC Name2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCC(C)(C)Oc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C13H13Cl2NO/c1-13(2,3)17-8-4-5-11-9(6-8)10(14)7-12(15)16-11/h4-7H,1-3H3
InChIKeyUNWXWFUOFFXIDO-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.72
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-6-[(2-methylpropan-2-yl)oxy]quinoline?
The IUPAC name of 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline (CID 82581132) is 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline.
What is the SMILES notation for 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline?
The canonical SMILES for 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline is CC(C)(C)Oc1ccc2nc(Cl)cc(Cl)c2c1.
What is the InChIKey of 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline?
The InChIKey is UNWXWFUOFFXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO/c1-13(2,3)17-8-4-5-11-9(6-8)10(14)7-12(15)16-11/h4-7H,1-3H3.
What are the key properties of 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline?
2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline has a molecular weight of 270.16 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-methylpropan-2-yl)oxy]quinoline is sourced from PubChem (CID 82581132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).