2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine

C80H58Cl2F6N26O5 — CID 159025759

IUPAC2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCc1cccc2c(Nc3n[nH]c(-c4ccccc4)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1cccc2c(Nc3n[nH]c(-c4ccco4)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1nc(Nc2nc(-c3ccc(N)cc3Cl)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccc([N+](=O)[O-])cc3Cl)nc3ccccc23)n[nH]1
InChIInChI=1S/C24H17F3N6O.C22H15F3N6O2.C17H12ClN7O2.C17H14ClN7/c1-14-8-7-12-17-19(14)28-21(16-11-5-6-13-18(16)34-24(25,26)27)29-22(17)31-23-30-20(32-33-23)15-9-3-2-4-10-15;1-12-6-4-8-14-17(12)26-18(13-7-2-3-9-15(13)33-22(23,24)25)27-19(14)28-21-29-20(30-31-21)16-10-5-11-32-16;1-9-19-17(24-23-9)22-16-12-4-2-3-5-14(12)20-15(21-16)11-7-6-10(25(26)27)8-13(11)18;1-9-20-17(25-24-9)23-16-12-4-2-3-5-14(12)21-15(22-16)11-7-6-10(19)8-13(11)18/h2-13H,1H3,(H2,28,29,30,31,32,33);2-11H,1H3,(H2,26,27,28,29,30,31);2-8H,1H3,(H2,19,20,21,22,23,24);2-8H,19H2,1H3,(H2,20,21,22,23,24,25)
InChIKeyJUGJMVGDZHEHFU-UHFFFAOYSA-N
MW1648.41 g/mol
LogP19.39
Rot. Bonds17

About 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine

2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine (PubChem CID 159025759) has the molecular formula C80H58Cl2F6N26O5 and a molecular weight of 1648.41 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
PubChem CID159025759
Molecular FormulaC80H58Cl2F6N26O5
Molecular Weight1648.41 g/mol
Exact Mass1646.44
IUPAC Name2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
SMILESCc1cccc2c(Nc3n[nH]c(-c4ccccc4)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1cccc2c(Nc3n[nH]c(-c4ccco4)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1nc(Nc2nc(-c3ccc(N)cc3Cl)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccc([N+](=O)[O-])cc3Cl)nc3ccccc23)n[nH]1
InChIInChI=1S/C24H17F3N6O.C22H15F3N6O2.C17H12ClN7O2.C17H14ClN7/c1-14-8-7-12-17-19(14)28-21(16-11-5-6-13-18(16)34-24(25,26)27)29-22(17)31-23-30-20(32-33-23)15-9-3-2-4-10-15;1-12-6-4-8-14-17(12)26-18(13-7-2-3-9-15(13)33-22(23,24)25)27-19(14)28-21-29-20(30-31-21)16-10-5-11-32-16;1-9-19-17(24-23-9)22-16-12-4-2-3-5-14(12)20-15(21-16)11-7-6-10(25(26)27)8-13(11)18;1-9-20-17(25-24-9)23-16-12-4-2-3-5-14(12)21-15(22-16)11-7-6-10(19)8-13(11)18/h2-13H,1H3,(H2,28,29,30,31,32,33);2-11H,1H3,(H2,26,27,28,29,30,31);2-8H,1H3,(H2,19,20,21,22,23,24);2-8H,19H2,1H3,(H2,20,21,22,23,24,25)
InChIKeyJUGJMVGDZHEHFU-UHFFFAOYSA-N
XLogP19.39
TPSA418.28 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001648.41
LogP ≤ 519.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]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

2-(2-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;8-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;5-fluoro-N-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-1H-indazol-3-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine
CID 160956276
2-(1-benzofuran-2-yl)-9-chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N,N-dimethyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-N-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazoline;9-chloro-2-(5-methylfuran-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(furan-2-yl)-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 163701722

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The IUPAC name of 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine (CID 159025759) is 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine is Cc1cccc2c(Nc3n[nH]c(-c4ccccc4)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1cccc2c(Nc3n[nH]c(-c4ccco4)n3)nc(-c3ccccc3OC(F)(F)F)nc12.Cc1nc(Nc2nc(-c3ccc(N)cc3Cl)nc3ccccc23)n[nH]1.Cc1nc(Nc2nc(-c3ccc([N+](=O)[O-])cc3Cl)nc3ccccc23)n[nH]1.
What is the InChIKey of 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
The InChIKey is JUGJMVGDZHEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O.C22H15F3N6O2.C17H12ClN7O2.C17H14ClN7/c1-14-8-7-12-17-19(14)28-21(16-11-5-6-13-18(16)34-24(25,26)27)29-22(17)31-23-30-20(32-33-23)15-9-3-2-4-10-15;1-12-6-4-8-14-17(12)26-18(13-7-2-3-9-15(13)33-22(23,24)25)27-19(14)28-21-29-20(30-31-21)16-10-5-11-32-16;1-9-19-17(24-23-9)22-16-12-4-2-3-5-14(12)20-15(21-16)11-7-6-10(25(26)27)8-13(11)18;1-9-20-17(25-24-9)23-16-12-4-2-3-5-14(12)21-15(22-16)11-7-6-10(19)8-13(11)18/h2-13H,1H3,(H2,28,29,30,31,32,33);2-11H,1H3,(H2,26,27,28,29,30,31);2-8H,1H3,(H2,19,20,21,22,23,24);2-8H,19H2,1H3,(H2,20,21,22,23,24,25).
What are the key properties of 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine?
2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine has a molecular weight of 1648.41 g/mol, XLogP of 19.39, 17 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine;8-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-amine is sourced from PubChem (CID 159025759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).