[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

C23H25N3O3 — CID 2862464

IUPAC[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-25-10-12-26(13-11-25)23(27)18-15-20(24-19-7-5-4-6-17(18)19)16-8-9-21(28-2)22(14-16)29-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyQODIPSPZWXQLOX-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.31
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 2862464) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID2862464
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C23H25N3O3/c1-25-10-12-26(13-11-25)23(27)18-15-20(24-19-7-5-4-6-17(18)19)16-8-9-21(28-2)22(14-16)29-3/h4-9,14-15H,10-13H2,1-3H3
InChIKeyQODIPSPZWXQLOX-UHFFFAOYSA-N
XLogP3.31
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone 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 [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 2862464) is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QODIPSPZWXQLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25-10-12-26(13-11-25)23(27)18-15-20(24-19-7-5-4-6-17(18)19)16-8-9-21(28-2)22(14-16)29-3/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 391.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 2862464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).