5-chloro-8-phenylmethoxyquinoline

C16H12ClNO — CID 18968588

IUPAC5-chloro-8-phenylmethoxyquinoline
SMILESClc1ccc(OCc2ccccc2)c2ncccc12
InChIInChI=1S/C16H12ClNO/c17-14-8-9-15(16-13(14)7-4-10-18-16)19-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyLPPVIXWNCVGAJV-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.47
Rot. Bonds3

About 5-chloro-8-phenylmethoxyquinoline

5-chloro-8-phenylmethoxyquinoline (PubChem CID 18968588) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-8-phenylmethoxyquinoline.

Molecular Properties

Compound Name5-chloro-8-phenylmethoxyquinoline
PubChem CID18968588
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name5-chloro-8-phenylmethoxyquinoline
SMILESClc1ccc(OCc2ccccc2)c2ncccc12
InChIInChI=1S/C16H12ClNO/c17-14-8-9-15(16-13(14)7-4-10-18-16)19-11-12-5-2-1-3-6-12/h1-10H,11H2
InChIKeyLPPVIXWNCVGAJV-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-8-phenylmethoxyquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-phenylmethoxyquinoline?
The IUPAC name of 5-chloro-8-phenylmethoxyquinoline (CID 18968588) is 5-chloro-8-phenylmethoxyquinoline.
What is the SMILES notation for 5-chloro-8-phenylmethoxyquinoline?
The canonical SMILES for 5-chloro-8-phenylmethoxyquinoline is Clc1ccc(OCc2ccccc2)c2ncccc12.
What is the InChIKey of 5-chloro-8-phenylmethoxyquinoline?
The InChIKey is LPPVIXWNCVGAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-14-8-9-15(16-13(14)7-4-10-18-16)19-11-12-5-2-1-3-6-12/h1-10H,11H2.
What are the key properties of 5-chloro-8-phenylmethoxyquinoline?
5-chloro-8-phenylmethoxyquinoline has a molecular weight of 269.73 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-phenylmethoxyquinoline is sourced from PubChem (CID 18968588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).