4-(chloromethyl)-2-(4-methylphenoxy)quinoline

C17H14ClNO — CID 63446185

IUPAC4-(chloromethyl)-2-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2cc(CCl)c3ccccc3n2)cc1
InChIInChI=1S/C17H14ClNO/c1-12-6-8-14(9-7-12)20-17-10-13(11-18)15-4-2-3-5-16(15)19-17/h2-10H,11H2,1H3
InChIKeyNWPPVQGOZGRQST-UHFFFAOYSA-N
MW283.76 g/mol
LogP5.07
Rot. Bonds3

About 4-(chloromethyl)-2-(4-methylphenoxy)quinoline

4-(chloromethyl)-2-(4-methylphenoxy)quinoline (PubChem CID 63446185) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-methylphenoxy)quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-methylphenoxy)quinoline
PubChem CID63446185
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name4-(chloromethyl)-2-(4-methylphenoxy)quinoline
SMILESCc1ccc(Oc2cc(CCl)c3ccccc3n2)cc1
InChIInChI=1S/C17H14ClNO/c1-12-6-8-14(9-7-12)20-17-10-13(11-18)15-4-2-3-5-16(15)19-17/h2-10H,11H2,1H3
InChIKeyNWPPVQGOZGRQST-UHFFFAOYSA-N
XLogP5.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.76
LogP ≤ 55.07
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-(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-(2-chlorophenoxy)quinoline
CID 63446022
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400
1-[2-(4-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62297834
4-(chloromethyl)-2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]quinoline
CID 129011322
4-(chloromethyl)-2-phenylmethoxyquinoline
CID 61257867
[2-(4-methylsulfanylphenoxy)quinolin-4-yl]methanamine
CID 63647372
2-tert-butyl-4-(chloromethyl)quinoline
CID 82447800
4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
CID 102607148
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
CID 65126344

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-methylphenoxy)quinoline?
The IUPAC name of 4-(chloromethyl)-2-(4-methylphenoxy)quinoline (CID 63446185) is 4-(chloromethyl)-2-(4-methylphenoxy)quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-(4-methylphenoxy)quinoline?
The canonical SMILES for 4-(chloromethyl)-2-(4-methylphenoxy)quinoline is Cc1ccc(Oc2cc(CCl)c3ccccc3n2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-methylphenoxy)quinoline?
The InChIKey is NWPPVQGOZGRQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c1-12-6-8-14(9-7-12)20-17-10-13(11-18)15-4-2-3-5-16(15)19-17/h2-10H,11H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-methylphenoxy)quinoline?
4-(chloromethyl)-2-(4-methylphenoxy)quinoline has a molecular weight of 283.76 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-methylphenoxy)quinoline is sourced from PubChem (CID 63446185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).