4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline

C13H12ClNO2 — CID 102607148

IUPAC4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
SMILESClCc1cc(OC2COC2)nc2ccccc12
InChIInChI=1S/C13H12ClNO2/c14-6-9-5-13(17-10-7-16-8-10)15-12-4-2-1-3-11(9)12/h1-5,10H,6-8H2
InChIKeyHHYBVGNSQVZSRL-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds3

About 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline

4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline (PubChem CID 102607148) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
PubChem CID102607148
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
SMILESClCc1cc(OC2COC2)nc2ccccc12
InChIInChI=1S/C13H12ClNO2/c14-6-9-5-13(17-10-7-16-8-10)15-12-4-2-1-3-11(9)12/h1-5,10H,6-8H2
InChIKeyHHYBVGNSQVZSRL-UHFFFAOYSA-N
XLogP2.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(oxetan-3-yloxy)quinolin-4-yl]methyl]propan-2-amine
CID 102607873
4-(chloromethyl)-2-phenylmethoxyquinoline
CID 61257867
4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
CID 63446022
[4-(oxetan-3-yloxy)quinolin-2-yl]methanol
CID 102607123
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400
4-(chloromethyl)-2-(4-methylphenoxy)quinoline
CID 63446185
[2-(3,5-dimethylcyclohexyl)oxyquinolin-4-yl]methanamine
CID 64729365
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
CID 65126344
4-(chloromethyl)-2-(3-methylphenoxy)quinoline
CID 63446156
4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
CID 61268986
4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline
CID 63446236
4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline
CID 129011322

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline?
The IUPAC name of 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline (CID 102607148) is 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline?
The canonical SMILES for 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline is ClCc1cc(OC2COC2)nc2ccccc12.
What is the InChIKey of 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline?
The InChIKey is HHYBVGNSQVZSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-6-9-5-13(17-10-7-16-8-10)15-12-4-2-1-3-11(9)12/h1-5,10H,6-8H2.
What are the key properties of 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline?
4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline has a molecular weight of 249.70 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline is sourced from PubChem (CID 102607148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).