6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine

C18H15ClF3N3O — CID 19751395

IUPAC6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
SMILESFC(F)(F)COc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClF3N3O/c19-13-3-6-16-15(9-13)17(25-11-24-16)23-8-7-12-1-4-14(5-2-12)26-10-18(20,21)22/h1-6,9,11H,7-8,10H2,(H,23,24,25)
InChIKeyRAJBGTMFJPHYRK-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.88
Rot. Bonds6

About 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine

6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine (PubChem CID 19751395) has the molecular formula C18H15ClF3N3O and a molecular weight of 381.79 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
PubChem CID19751395
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC Name6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine
SMILESFC(F)(F)COc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
InChIInChI=1S/C18H15ClF3N3O/c19-13-3-6-16-15(9-13)17(25-11-24-16)23-8-7-12-1-4-14(5-2-12)26-10-18(20,21)22/h1-6,9,11H,7-8,10H2,(H,23,24,25)
InChIKeyRAJBGTMFJPHYRK-UHFFFAOYSA-N
XLogP4.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine (CID 19751395) is 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine is FC(F)(F)COc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1.
What is the InChIKey of 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is RAJBGTMFJPHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N3O/c19-13-3-6-16-15(9-13)17(25-11-24-16)23-8-7-12-1-4-14(5-2-12)26-10-18(20,21)22/h1-6,9,11H,7-8,10H2,(H,23,24,25).
What are the key properties of 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine?
6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 381.79 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 19751395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).