4-(chloromethyl)-2-phenylmethoxyquinoline

C17H14ClNO — CID 61257867

IUPAC4-(chloromethyl)-2-phenylmethoxyquinoline
SMILESClCc1cc(OCc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H14ClNO/c18-11-14-10-17(19-16-9-5-4-8-15(14)16)20-12-13-6-2-1-3-7-13/h1-10H,11-12H2
InChIKeyLSFHRZMNGLXMOB-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.55
Rot. Bonds4

About 4-(chloromethyl)-2-phenylmethoxyquinoline

4-(chloromethyl)-2-phenylmethoxyquinoline (PubChem CID 61257867) has the molecular formula C17H14ClNO and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-phenylmethoxyquinoline.

Molecular Properties

Compound Name4-(chloromethyl)-2-phenylmethoxyquinoline
PubChem CID61257867
Molecular FormulaC17H14ClNO
Molecular Weight283.76 g/mol
Exact Mass283.08
IUPAC Name4-(chloromethyl)-2-phenylmethoxyquinoline
SMILESClCc1cc(OCc2ccccc2)nc2ccccc12
InChIInChI=1S/C17H14ClNO/c18-11-14-10-17(19-16-9-5-4-8-15(14)16)20-12-13-6-2-1-3-7-13/h1-10H,11-12H2
InChIKeyLSFHRZMNGLXMOB-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-phenylmethoxyquinoline?
The IUPAC name of 4-(chloromethyl)-2-phenylmethoxyquinoline (CID 61257867) is 4-(chloromethyl)-2-phenylmethoxyquinoline.
What is the SMILES notation for 4-(chloromethyl)-2-phenylmethoxyquinoline?
The canonical SMILES for 4-(chloromethyl)-2-phenylmethoxyquinoline is ClCc1cc(OCc2ccccc2)nc2ccccc12.
What is the InChIKey of 4-(chloromethyl)-2-phenylmethoxyquinoline?
The InChIKey is LSFHRZMNGLXMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO/c18-11-14-10-17(19-16-9-5-4-8-15(14)16)20-12-13-6-2-1-3-7-13/h1-10H,11-12H2.
What are the key properties of 4-(chloromethyl)-2-phenylmethoxyquinoline?
4-(chloromethyl)-2-phenylmethoxyquinoline has a molecular weight of 283.76 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-phenylmethoxyquinoline is sourced from PubChem (CID 61257867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).