4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane

C21H22N4 — CID 158935094

IUPAC4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane
SMILESC.CN(C)c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C20H18N4.CH4/c1-23(2)17-6-3-15(4-7-17)19-9-5-16-13-18(8-10-20(16)22-19)24-12-11-21-14-24;/h3-14H,1-2H3;1H4
InChIKeyJJNWMIOEXBXQSG-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.79
Rot. Bonds3

About 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane

4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane (PubChem CID 158935094) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane.

Molecular Properties

Compound Name4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane
PubChem CID158935094
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane
SMILESC.CN(C)c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1
InChIInChI=1S/C20H18N4.CH4/c1-23(2)17-6-3-15(4-7-17)19-9-5-16-13-18(8-10-20(16)22-19)24-12-11-21-14-24;/h3-14H,1-2H3;1H4
InChIKeyJJNWMIOEXBXQSG-UHFFFAOYSA-N
XLogP4.79
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane 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-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane?
The IUPAC name of 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane (CID 158935094) is 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane.
What is the SMILES notation for 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane?
The canonical SMILES for 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane is C.CN(C)c1ccc(-c2ccc3cc(-n4ccnc4)ccc3n2)cc1.
What is the InChIKey of 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane?
The InChIKey is JJNWMIOEXBXQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4.CH4/c1-23(2)17-6-3-15(4-7-17)19-9-5-16-13-18(8-10-20(16)22-19)24-12-11-21-14-24;/h3-14H,1-2H3;1H4.
What are the key properties of 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane?
4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane has a molecular weight of 330.44 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-imidazol-1-ylquinolin-2-yl)-N,N-dimethylaniline;methane is sourced from PubChem (CID 158935094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).