2-(chloromethyl)-4-(1-phenylethoxy)quinoline

C18H16ClNO — CID 63445964

IUPAC2-(chloromethyl)-4-(1-phenylethoxy)quinoline
SMILESCC(Oc1cc(CCl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C18H16ClNO/c1-13(14-7-3-2-4-8-14)21-18-11-15(12-19)20-17-10-6-5-9-16(17)18/h2-11,13H,12H2,1H3
InChIKeyFEPTZOALDBHBPU-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.11
Rot. Bonds4

About 2-(chloromethyl)-4-(1-phenylethoxy)quinoline

2-(chloromethyl)-4-(1-phenylethoxy)quinoline (PubChem CID 63445964) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(1-phenylethoxy)quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-4-(1-phenylethoxy)quinoline
PubChem CID63445964
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name2-(chloromethyl)-4-(1-phenylethoxy)quinoline
SMILESCC(Oc1cc(CCl)nc2ccccc12)c1ccccc1
InChIInChI=1S/C18H16ClNO/c1-13(14-7-3-2-4-8-14)21-18-11-15(12-19)20-17-10-6-5-9-16(17)18/h2-11,13H,12H2,1H3
InChIKeyFEPTZOALDBHBPU-UHFFFAOYSA-N
XLogP5.11
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-methoxyquinoline
CID 63375679
2-(chloromethyl)-4-(3-methylbutoxy)quinoline
CID 55185069
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545
1-[2-(chloromethyl)quinolin-4-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 79680327
2-(chloromethyl)-4-(4-iodophenoxy)quinoline
CID 63446807
2-(chloromethyl)-4-(4,4-dimethylcyclohexyl)oxyquinoline
CID 114341778
2-(chloromethyl)-4-(2,5-dichlorophenoxy)quinoline
CID 63446146
(4-pentan-2-yloxyquinolin-2-yl)methanamine
CID 102985707
2-(chloromethyl)-4-phenylquinoline
CID 70386210
2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
CID 63446436
4-(2-bromo-4-fluorophenoxy)-2-(chloromethyl)quinoline
CID 63445972

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(1-phenylethoxy)quinoline?
The IUPAC name of 2-(chloromethyl)-4-(1-phenylethoxy)quinoline (CID 63445964) is 2-(chloromethyl)-4-(1-phenylethoxy)quinoline.
What is the SMILES notation for 2-(chloromethyl)-4-(1-phenylethoxy)quinoline?
The canonical SMILES for 2-(chloromethyl)-4-(1-phenylethoxy)quinoline is CC(Oc1cc(CCl)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(chloromethyl)-4-(1-phenylethoxy)quinoline?
The InChIKey is FEPTZOALDBHBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-13(14-7-3-2-4-8-14)21-18-11-15(12-19)20-17-10-6-5-9-16(17)18/h2-11,13H,12H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(1-phenylethoxy)quinoline?
2-(chloromethyl)-4-(1-phenylethoxy)quinoline has a molecular weight of 297.79 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(1-phenylethoxy)quinoline is sourced from PubChem (CID 63445964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).