4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline

C18H16ClNO — CID 63446236

IUPAC4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline
SMILESCc1cccc(Oc2cc(CCl)c3ccccc3n2)c1C
InChIInChI=1S/C18H16ClNO/c1-12-6-5-9-17(13(12)2)21-18-10-14(11-19)15-7-3-4-8-16(15)20-18/h3-10H,11H2,1-2H3
InChIKeyVWRJXUQGQXROTE-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.38
Rot. Bonds3

About 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline

4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline (PubChem CID 63446236) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline
PubChem CID63446236
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline
SMILESCc1cccc(Oc2cc(CCl)c3ccccc3n2)c1C
InChIInChI=1S/C18H16ClNO/c1-12-6-5-9-17(13(12)2)21-18-10-14(11-19)15-7-3-4-8-16(15)20-18/h3-10H,11H2,1-2H3
InChIKeyVWRJXUQGQXROTE-UHFFFAOYSA-N
XLogP5.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.38
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

4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
CID 63446022
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400
4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline
CID 129011322
4-(chloromethyl)-2-(3-methylphenoxy)quinoline
CID 63446156
[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62296104
4-(chloromethyl)-2-(4-methylphenoxy)quinoline
CID 63446185
N-methyl-1-[2-(2-methylphenoxy)quinolin-4-yl]methanamine
CID 62298208
[4-(2,3-dimethylphenoxy)quinolin-2-yl]methanamine
CID 63377413
4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
CID 61268986
4-(chloromethyl)-2-phenylmethoxyquinoline
CID 61257867
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline?
The IUPAC name of 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline (CID 63446236) is 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline?
The canonical SMILES for 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline is Cc1cccc(Oc2cc(CCl)c3ccccc3n2)c1C.
What is the InChIKey of 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline?
The InChIKey is VWRJXUQGQXROTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-12-6-5-9-17(13(12)2)21-18-10-14(11-19)15-7-3-4-8-16(15)20-18/h3-10H,11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline?
4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline has a molecular weight of 297.79 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(2,3-dimethylphenoxy)quinoline is sourced from PubChem (CID 63446236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).