6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

C29H20Cl2F3N3 — CID 118916027

IUPAC6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(CNc2ncnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)c1
InChIInChI=1S/C29H20Cl2F3N3/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)28(37-17-36-26)35-16-18-2-1-3-22(14-18)29(32,33)34/h1-15,17,27H,16H2,(H,35,36,37)
InChIKeyJWYGNPDEMSPNOL-UHFFFAOYSA-N
MW538.40 g/mol
LogP8.75
Rot. Bonds6

About 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (PubChem CID 118916027) has the molecular formula C29H20Cl2F3N3 and a molecular weight of 538.40 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
PubChem CID118916027
Molecular FormulaC29H20Cl2F3N3
Molecular Weight538.40 g/mol
Exact Mass537.10
IUPAC Name6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
SMILESFC(F)(F)c1cccc(CNc2ncnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)c1
InChIInChI=1S/C29H20Cl2F3N3/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)28(37-17-36-26)35-16-18-2-1-3-22(14-18)29(32,33)34/h1-15,17,27H,16H2,(H,35,36,37)
InChIKeyJWYGNPDEMSPNOL-UHFFFAOYSA-N
XLogP8.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.40
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
Nsc343227
CID 335083
1-N-{2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}cyclohexane-1,4-diamine
CID 10115841
3-[4-({2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-yl}amino)butyl]guanidine
CID 22667956
Aminoquinazoline, 18
CID 24863671
N-(3-chlorophenyl)-6-fluoroquinazolin-4-amine
CID 24991329
N-(2-aminoethyl)-2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinazolin-4-amine
CID 25190632
6-(3-Chlorophenyl)quinazolin-4-Amine
CID 72705109
N-[(4-chlorophenyl)methyl]quinazolin-4-amine
CID 5328014
7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 1490539
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine
CID 725409
(3-{[2-(4-Chlorophenyl)quinazolin-4-yl]amino}propyl)diethylamine
CID 1591101

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine (CID 118916027) is 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is FC(F)(F)c1cccc(CNc2ncnc3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)c1.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
The InChIKey is JWYGNPDEMSPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2F3N3/c30-23-9-4-19(5-10-23)27(20-6-11-24(31)12-7-20)21-8-13-26-25(15-21)28(37-17-36-26)35-16-18-2-1-3-22(14-18)29(32,33)34/h1-15,17,27H,16H2,(H,35,36,37).
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine?
6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine has a molecular weight of 538.40 g/mol, XLogP of 8.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 118916027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).