6-(chloromethyl)-3-cyclopropylquinoline

C13H12ClN — CID 134178572

IUPAC6-(chloromethyl)-3-cyclopropylquinoline
SMILESClCc1ccc2ncc(C3CC3)cc2c1
InChIInChI=1S/C13H12ClN/c14-7-9-1-4-13-11(5-9)6-12(8-15-13)10-2-3-10/h1,4-6,8,10H,2-3,7H2
InChIKeySACZJRXSKXVOCD-UHFFFAOYSA-N
MW217.70 g/mol
LogP3.85
Rot. Bonds2

About 6-(chloromethyl)-3-cyclopropylquinoline

6-(chloromethyl)-3-cyclopropylquinoline (PubChem CID 134178572) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 6-(chloromethyl)-3-cyclopropylquinoline.

Molecular Properties

Compound Name6-(chloromethyl)-3-cyclopropylquinoline
PubChem CID134178572
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name6-(chloromethyl)-3-cyclopropylquinoline
SMILESClCc1ccc2ncc(C3CC3)cc2c1
InChIInChI=1S/C13H12ClN/c14-7-9-1-4-13-11(5-9)6-12(8-15-13)10-2-3-10/h1,4-6,8,10H,2-3,7H2
InChIKeySACZJRXSKXVOCD-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-(chloromethyl)-3-cyclopropylquinoline?
The IUPAC name of 6-(chloromethyl)-3-cyclopropylquinoline (CID 134178572) is 6-(chloromethyl)-3-cyclopropylquinoline.
What is the SMILES notation for 6-(chloromethyl)-3-cyclopropylquinoline?
The canonical SMILES for 6-(chloromethyl)-3-cyclopropylquinoline is ClCc1ccc2ncc(C3CC3)cc2c1.
What is the InChIKey of 6-(chloromethyl)-3-cyclopropylquinoline?
The InChIKey is SACZJRXSKXVOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c14-7-9-1-4-13-11(5-9)6-12(8-15-13)10-2-3-10/h1,4-6,8,10H,2-3,7H2.
What are the key properties of 6-(chloromethyl)-3-cyclopropylquinoline?
6-(chloromethyl)-3-cyclopropylquinoline has a molecular weight of 217.70 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-cyclopropylquinoline is sourced from PubChem (CID 134178572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).