4-chloro-5-methoxyquinoline

C10H8ClNO — CID 21399759

IUPAC4-chloro-5-methoxyquinoline
SMILESCOc1cccc2nccc(Cl)c12
InChIInChI=1S/C10H8ClNO/c1-13-9-4-2-3-8-10(9)7(11)5-6-12-8/h2-6H,1H3
InChIKeyMHSPKKXMNJNWHR-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.90
Rot. Bonds1

About 4-chloro-5-methoxyquinoline

4-chloro-5-methoxyquinoline (PubChem CID 21399759) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 4-chloro-5-methoxyquinoline.

Molecular Properties

Compound Name4-chloro-5-methoxyquinoline
PubChem CID21399759
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name4-chloro-5-methoxyquinoline
SMILESCOc1cccc2nccc(Cl)c12
InChIInChI=1S/C10H8ClNO/c1-13-9-4-2-3-8-10(9)7(11)5-6-12-8/h2-6H,1H3
InChIKeyMHSPKKXMNJNWHR-UHFFFAOYSA-N
XLogP2.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-5-methoxyquinoline 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-5-methoxyquinoline?
The IUPAC name of 4-chloro-5-methoxyquinoline (CID 21399759) is 4-chloro-5-methoxyquinoline.
What is the SMILES notation for 4-chloro-5-methoxyquinoline?
The canonical SMILES for 4-chloro-5-methoxyquinoline is COc1cccc2nccc(Cl)c12.
What is the InChIKey of 4-chloro-5-methoxyquinoline?
The InChIKey is MHSPKKXMNJNWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-13-9-4-2-3-8-10(9)7(11)5-6-12-8/h2-6H,1H3.
What are the key properties of 4-chloro-5-methoxyquinoline?
4-chloro-5-methoxyquinoline has a molecular weight of 193.63 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxyquinoline is sourced from PubChem (CID 21399759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).