4-chloro-7-phenylmethoxyquinoline

C16H12ClNO — CID 22030657

IUPAC4-chloro-7-phenylmethoxyquinoline
SMILESClc1ccnc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C16H12ClNO/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyTXHLONYFVBSHDY-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.47
Rot. Bonds3

About 4-chloro-7-phenylmethoxyquinoline

4-chloro-7-phenylmethoxyquinoline (PubChem CID 22030657) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-chloro-7-phenylmethoxyquinoline.

Molecular Properties

Compound Name4-chloro-7-phenylmethoxyquinoline
PubChem CID22030657
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name4-chloro-7-phenylmethoxyquinoline
SMILESClc1ccnc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C16H12ClNO/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2
InChIKeyTXHLONYFVBSHDY-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 4-chloro-7-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 4-chloro-7-phenylmethoxyquinoline?
The IUPAC name of 4-chloro-7-phenylmethoxyquinoline (CID 22030657) is 4-chloro-7-phenylmethoxyquinoline.
What is the SMILES notation for 4-chloro-7-phenylmethoxyquinoline?
The canonical SMILES for 4-chloro-7-phenylmethoxyquinoline is Clc1ccnc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 4-chloro-7-phenylmethoxyquinoline?
The InChIKey is TXHLONYFVBSHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-15-8-9-18-16-10-13(6-7-14(15)16)19-11-12-4-2-1-3-5-12/h1-10H,11H2.
What are the key properties of 4-chloro-7-phenylmethoxyquinoline?
4-chloro-7-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 4-chloro-7-phenylmethoxyquinoline is sourced from PubChem (CID 22030657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).