4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline

C32H33N3 — CID 139191381

IUPAC4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)c3ccccc3N=C[C@]2(C)c2ccccc2)cc1
InChIInChI=1S/C32H33N3/c1-31(24-11-7-6-8-12-24)23-33-30-14-10-9-13-29(30)32(31,25-15-19-27(20-16-25)34(2)3)26-17-21-28(22-18-26)35(4)5/h6-23H,1-5H3/t31-/m1/s1
InChIKeyWNPSYUKRZLFPEN-WJOKGBTCSA-N
MW459.64 g/mol
LogP6.83
Rot. Bonds5

About 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline

4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline (PubChem CID 139191381) has the molecular formula C32H33N3 and a molecular weight of 459.64 g/mol. Its IUPAC name is 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline
PubChem CID139191381
Molecular FormulaC32H33N3
Molecular Weight459.64 g/mol
Exact Mass459.27
IUPAC Name4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)c3ccccc3N=C[C@]2(C)c2ccccc2)cc1
InChIInChI=1S/C32H33N3/c1-31(24-11-7-6-8-12-24)23-33-30-14-10-9-13-29(30)32(31,25-15-19-27(20-16-25)34(2)3)26-17-21-28(22-18-26)35(4)5/h6-23H,1-5H3/t31-/m1/s1
InChIKeyWNPSYUKRZLFPEN-WJOKGBTCSA-N
XLogP6.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.64
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-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-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline (CID 139191381) is 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline is CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)c3ccccc3N=C[C@]2(C)c2ccccc2)cc1.
What is the InChIKey of 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline?
The InChIKey is WNPSYUKRZLFPEN-WJOKGBTCSA-N. The full InChI is InChI=1S/C32H33N3/c1-31(24-11-7-6-8-12-24)23-33-30-14-10-9-13-29(30)32(31,25-15-19-27(20-16-25)34(2)3)26-17-21-28(22-18-26)35(4)5/h6-23H,1-5H3/t31-/m1/s1.
What are the key properties of 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline?
4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline has a molecular weight of 459.64 g/mol, XLogP of 6.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 139191381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).