6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline

C21H23N3O2 — CID 59017478

IUPAC6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline
SMILESCOc1cc(N2CCNCC2)c2ncc(C)c(Oc3ccccc3)c2c1
InChIInChI=1S/C21H23N3O2/c1-15-14-23-20-18(21(15)26-16-6-4-3-5-7-16)12-17(25-2)13-19(20)24-10-8-22-9-11-24/h3-7,12-14,22H,8-11H2,1-2H3
InChIKeyPDWQFWQBPUYXNG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.75
Rot. Bonds4

About 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline

6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline (PubChem CID 59017478) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline.

Molecular Properties

Compound Name6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline
PubChem CID59017478
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline
SMILESCOc1cc(N2CCNCC2)c2ncc(C)c(Oc3ccccc3)c2c1
InChIInChI=1S/C21H23N3O2/c1-15-14-23-20-18(21(15)26-16-6-4-3-5-7-16)12-17(25-2)13-19(20)24-10-8-22-9-11-24/h3-7,12-14,22H,8-11H2,1-2H3
InChIKeyPDWQFWQBPUYXNG-UHFFFAOYSA-N
XLogP3.75
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline 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 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline?
The IUPAC name of 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline (CID 59017478) is 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline.
What is the SMILES notation for 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline?
The canonical SMILES for 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline is COc1cc(N2CCNCC2)c2ncc(C)c(Oc3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline?
The InChIKey is PDWQFWQBPUYXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-14-23-20-18(21(15)26-16-6-4-3-5-7-16)12-17(25-2)13-19(20)24-10-8-22-9-11-24/h3-7,12-14,22H,8-11H2,1-2H3.
What are the key properties of 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline?
6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline has a molecular weight of 349.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-4-phenoxy-8-piperazin-1-ylquinoline is sourced from PubChem (CID 59017478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).