5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline

C14H16ClNO — CID 58730261

IUPAC5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCC(C)(C)Oc1ccc(CCl)c2cccnc12
InChIInChI=1S/C14H16ClNO/c1-14(2,3)17-12-7-6-10(9-15)11-5-4-8-16-13(11)12/h4-8H,9H2,1-3H3
InChIKeyWJPKMBSOPFIAFO-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.15
Rot. Bonds2

About 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline

5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline (PubChem CID 58730261) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline.

Molecular Properties

Compound Name5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline
PubChem CID58730261
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline
SMILESCC(C)(C)Oc1ccc(CCl)c2cccnc12
InChIInChI=1S/C14H16ClNO/c1-14(2,3)17-12-7-6-10(9-15)11-5-4-8-16-13(11)12/h4-8H,9H2,1-3H3
InChIKeyWJPKMBSOPFIAFO-UHFFFAOYSA-N
XLogP4.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline?
The IUPAC name of 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline (CID 58730261) is 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline.
What is the SMILES notation for 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline?
The canonical SMILES for 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline is CC(C)(C)Oc1ccc(CCl)c2cccnc12.
What is the InChIKey of 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline?
The InChIKey is WJPKMBSOPFIAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-14(2,3)17-12-7-6-10(9-15)11-5-4-8-16-13(11)12/h4-8H,9H2,1-3H3.
What are the key properties of 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline?
5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline has a molecular weight of 249.74 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-8-[(2-methylpropan-2-yl)oxy]quinoline is sourced from PubChem (CID 58730261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).