2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

C15H9ClF3N3 — CID 22692746

IUPAC2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C15H9ClF3N3/c16-14-21-12-4-2-1-3-11(12)13(22-14)20-10-7-5-9(6-8-10)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeySCEPFZSQJCECLF-UHFFFAOYSA-N
MW323.71 g/mol
LogP5.05
Rot. Bonds2

About 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine

2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 22692746) has the molecular formula C15H9ClF3N3 and a molecular weight of 323.71 g/mol. Its IUPAC name is 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID22692746
Molecular FormulaC15H9ClF3N3
Molecular Weight323.71 g/mol
Exact Mass323.04
IUPAC Name2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESFC(F)(F)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C15H9ClF3N3/c16-14-21-12-4-2-1-3-11(12)13(22-14)20-10-7-5-9(6-8-10)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeySCEPFZSQJCECLF-UHFFFAOYSA-N
XLogP5.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.71
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
4-[(2-chloroquinazolin-4-yl)amino]benzoic acid
CID 22692967
2-chloro-N-(3,5-difluorophenyl)quinazolin-4-amine
CID 62477687
2-chloro-N-(3,5-dichloro-4-fluorophenyl)quinazolin-4-amine
CID 107576871
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetonitrile
CID 62476495
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
ethyl 4-[4-(trifluoromethyl)anilino]quinazoline-2-carboxylate
CID 6615271
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 22692746) is 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is FC(F)(F)c1ccc(Nc2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is SCEPFZSQJCECLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3/c16-14-21-12-4-2-1-3-11(12)13(22-14)20-10-7-5-9(6-8-10)15(17,18)19/h1-8H,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine?
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 323.71 g/mol, XLogP of 5.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 22692746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).