4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline

C17H13Cl2NO — CID 65126344

IUPAC4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
SMILESClCc1cc(OCc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H13Cl2NO/c18-10-13-9-17(20-16-4-2-1-3-15(13)16)21-11-12-5-7-14(19)8-6-12/h1-9H,10-11H2
InChIKeyBZQTUCQYORGZRK-UHFFFAOYSA-N
MW318.20 g/mol
LogP5.21
Rot. Bonds4

About 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline

4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline (PubChem CID 65126344) has the molecular formula C17H13Cl2NO and a molecular weight of 318.20 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
PubChem CID65126344
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
Exact Mass317.04
IUPAC Name4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
SMILESClCc1cc(OCc2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C17H13Cl2NO/c18-10-13-9-17(20-16-4-2-1-3-15(13)16)21-11-12-5-7-14(19)8-6-12/h1-9H,10-11H2
InChIKeyBZQTUCQYORGZRK-UHFFFAOYSA-N
XLogP5.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.20
LogP ≤ 55.21
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-phenylmethoxyquinoline
CID 61257867
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22577984
4-(chloromethyl)-2-(2-chlorophenoxy)quinoline
CID 63446022
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
4-[(4-chlorophenyl)methoxy]quinazoline
CID 55327565
4-(chloromethyl)-2-(4-methylphenoxy)quinoline
CID 63446185
2-(2-bromophenoxy)-4-(chloromethyl)quinoline
CID 63446400
4-(chloromethyl)-2-(oxetan-3-yloxy)quinoline
CID 102607148
[1-[(4-chlorophenyl)methoxy]isoquinolin-3-yl]methanamine
CID 65125880
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
4-(chloromethyl)-2-(3-methylphenoxy)quinoline
CID 63446156
4-(chloromethyl)-2-(3-fluorophenoxy)quinoline
CID 61268986

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline?
The IUPAC name of 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline (CID 65126344) is 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline.
What is the SMILES notation for 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline?
The canonical SMILES for 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline is ClCc1cc(OCc2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline?
The InChIKey is BZQTUCQYORGZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO/c18-10-13-9-17(20-16-4-2-1-3-15(13)16)21-11-12-5-7-14(19)8-6-12/h1-9H,10-11H2.
What are the key properties of 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline?
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline has a molecular weight of 318.20 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline is sourced from PubChem (CID 65126344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).