4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline

C18H16N4 — CID 4219722

IUPAC4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1
InChIInChI=1S/C18H16N4/c1-22(2)13-9-7-12(8-10-13)18-20-16-11-19-15-6-4-3-5-14(15)17(16)21-18/h3-11H,1-2H3,(H,20,21)
InChIKeyBKORDUZTJMHRHN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.84
Rot. Bonds2

About 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline

4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline (PubChem CID 4219722) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline
PubChem CID4219722
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1
InChIInChI=1S/C18H16N4/c1-22(2)13-9-7-12(8-10-13)18-20-16-11-19-15-6-4-3-5-14(15)17(16)21-18/h3-11H,1-2H3,(H,20,21)
InChIKeyBKORDUZTJMHRHN-UHFFFAOYSA-N
XLogP3.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline 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-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline (CID 4219722) is 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1.
What is the InChIKey of 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
The InChIKey is BKORDUZTJMHRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-22(2)13-9-7-12(8-10-13)18-20-16-11-19-15-6-4-3-5-14(15)17(16)21-18/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline?
4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline has a molecular weight of 288.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]quinolin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 4219722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).