N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine

C28H19ClF3N3 — CID 139208740

IUPACN-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine
SMILESFC(F)(F)c1ccccc1-c1ncc2c(NCc3ccc(-c4cccc(Cl)c4)cc3)cccc2n1
InChIInChI=1S/C28H19ClF3N3/c29-21-6-3-5-20(15-21)19-13-11-18(12-14-19)16-33-25-9-4-10-26-23(25)17-34-27(35-26)22-7-1-2-8-24(22)28(30,31)32/h1-15,17,33H,16H2
InChIKeyRQWDZMAEUJLKSF-UHFFFAOYSA-N
MW489.93 g/mol
LogP8.25
Rot. Bonds5

About N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine

N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine (PubChem CID 139208740) has the molecular formula C28H19ClF3N3 and a molecular weight of 489.93 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine
PubChem CID139208740
Molecular FormulaC28H19ClF3N3
Molecular Weight489.93 g/mol
Exact Mass489.12
IUPAC NameN-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine
SMILESFC(F)(F)c1ccccc1-c1ncc2c(NCc3ccc(-c4cccc(Cl)c4)cc3)cccc2n1
InChIInChI=1S/C28H19ClF3N3/c29-21-6-3-5-20(15-21)19-13-11-18(12-14-19)16-33-25-9-4-10-26-23(25)17-34-27(35-26)22-7-1-2-8-24(22)28(30,31)32/h1-15,17,33H,16H2
InChIKeyRQWDZMAEUJLKSF-UHFFFAOYSA-N
XLogP8.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.93
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine 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 N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine?
The IUPAC name of N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine (CID 139208740) is N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine?
The canonical SMILES for N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine is FC(F)(F)c1ccccc1-c1ncc2c(NCc3ccc(-c4cccc(Cl)c4)cc3)cccc2n1.
What is the InChIKey of N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine?
The InChIKey is RQWDZMAEUJLKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClF3N3/c29-21-6-3-5-20(15-21)19-13-11-18(12-14-19)16-33-25-9-4-10-26-23(25)17-34-27(35-26)22-7-1-2-8-24(22)28(30,31)32/h1-15,17,33H,16H2.
What are the key properties of N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine?
N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine has a molecular weight of 489.93 g/mol, XLogP of 8.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenyl]quinazolin-5-amine is sourced from PubChem (CID 139208740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).