5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

C227H190ClF3N50O12S — CID 157498364

IUPAC5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)cc(C)nc2c1.COc1ccc2c(Oc3ccc(Nc4n[nH]c(-c5cccc(Cl)c5)n4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Cc4cccc(C)c4)[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N(C)C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N(C)C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(OCc6ccccc6)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nc(C(F)(F)F)nc(C)c4C)cc3)n2)c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1
InChIInChI=1S/C31H25N5O2.2C26H24N6O.C26H23N5O2.2C25H18N6O.C24H18ClN5O2.C22H19F3N6O.C22H21N5OS/c1-21-6-5-9-24(18-21)33-31-34-30(35-36-31)23-10-12-25(13-11-23)38-29-16-17-32-28-19-26(14-15-27(28)29)37-20-22-7-3-2-4-8-22;2*1-17-7-6-8-19(15-17)27-26-29-25(30-31-26)18-11-13-20(14-12-18)33-23-16-24(32(2)3)28-22-10-5-4-9-21(22)23;1-16-5-4-6-19(13-16)28-26-29-25(30-31-26)18-7-9-20(10-8-18)33-24-14-17(2)27-23-15-21(32-3)11-12-22(23)24;2*1-16-4-3-5-19(14-16)28-25-29-24(30-31-25)17-6-9-20(10-7-17)32-23-12-13-27-22-15-18(26-2)8-11-21(22)23;1-31-19-9-10-20-21(14-19)26-12-11-22(20)32-18-7-5-17(6-8-18)27-24-28-23(29-30-24)15-3-2-4-16(25)13-15;1-12-5-4-6-16(11-12)27-21-28-18(30-31-21)15-7-9-17(10-8-15)32-19-13(2)14(3)26-20(29-19)22(23,24)25;1-14-4-3-5-15(10-14)11-20-24-13-18(25-20)16-6-8-17(9-7-16)28-21-12-19(23)26-22(27-21)29-2/h2-19H,20H2,1H3,(H2,33,34,35,36);2*4-16H,1-3H3,(H2,27,29,30,31);4-15H,1-3H3,(H2,28,29,30,31);2*3-15H,1H3,(H2,28,29,30,31);2-14H,1H3,(H2,27,28,29,30);4-11H,1-3H3,(H2,27,28,30,31);3-10,12-13H,11H2,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyBYCKMJLLTVJGCV-UHFFFAOYSA-N
MW3934.87 g/mol
LogP55.14
Rot. Bonds53

About 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 157498364) has the molecular formula C227H190ClF3N50O12S and a molecular weight of 3934.87 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
PubChem CID157498364
Molecular FormulaC227H190ClF3N50O12S
Molecular Weight3934.87 g/mol
Exact Mass3931.52
IUPAC Name5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)cc(C)nc2c1.COc1ccc2c(Oc3ccc(Nc4n[nH]c(-c5cccc(Cl)c5)n4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Cc4cccc(C)c4)[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N(C)C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N(C)C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(OCc6ccccc6)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nc(C(F)(F)F)nc(C)c4C)cc3)n2)c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1
InChIInChI=1S/C31H25N5O2.2C26H24N6O.C26H23N5O2.2C25H18N6O.C24H18ClN5O2.C22H19F3N6O.C22H21N5OS/c1-21-6-5-9-24(18-21)33-31-34-30(35-36-31)23-10-12-25(13-11-23)38-29-16-17-32-28-19-26(14-15-27(28)29)37-20-22-7-3-2-4-8-22;2*1-17-7-6-8-19(15-17)27-26-29-25(30-31-26)18-11-13-20(14-12-18)33-23-16-24(32(2)3)28-22-10-5-4-9-21(22)23;1-16-5-4-6-19(13-16)28-26-29-25(30-31-26)18-7-9-20(10-8-18)33-24-14-17(2)27-23-15-21(32-3)11-12-22(23)24;2*1-16-4-3-5-19(14-16)28-25-29-24(30-31-25)17-6-9-20(10-7-17)32-23-12-13-27-22-15-18(26-2)8-11-21(22)23;1-31-19-9-10-20-21(14-19)26-12-11-22(20)32-18-7-5-17(6-8-18)27-24-28-23(29-30-24)15-3-2-4-16(25)13-15;1-12-5-4-6-16(11-12)27-21-28-18(30-31-21)15-7-9-17(10-8-15)32-19-13(2)14(3)26-20(29-19)22(23,24)25;1-14-4-3-5-15(10-14)11-20-24-13-18(25-20)16-6-8-17(9-7-16)28-21-12-19(23)26-22(27-21)29-2/h2-19H,20H2,1H3,(H2,33,34,35,36);2*4-16H,1-3H3,(H2,27,29,30,31);4-15H,1-3H3,(H2,28,29,30,31);2*3-15H,1H3,(H2,28,29,30,31);2-14H,1H3,(H2,27,28,29,30);4-11H,1-3H3,(H2,27,28,30,31);3-10,12-13H,11H2,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyBYCKMJLLTVJGCV-UHFFFAOYSA-N
XLogP55.14
TPSA751.25 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds53
Heavy Atoms294
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003934.87
LogP ≤ 555.14
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Analyze 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-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

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 157498364) is 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)cc(C)nc2c1.COc1ccc2c(Oc3ccc(Nc4n[nH]c(-c5cccc(Cl)c5)n4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Cc4cccc(C)c4)[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N(C)C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N(C)C)nc5ccccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(OCc6ccccc6)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4nc(C(F)(F)F)nc(C)c4C)cc3)n2)c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is BYCKMJLLTVJGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2.2C26H24N6O.C26H23N5O2.2C25H18N6O.C24H18ClN5O2.C22H19F3N6O.C22H21N5OS/c1-21-6-5-9-24(18-21)33-31-34-30(35-36-31)23-10-12-25(13-11-23)38-29-16-17-32-28-19-26(14-15-27(28)29)37-20-22-7-3-2-4-8-22;2*1-17-7-6-8-19(15-17)27-26-29-25(30-31-26)18-11-13-20(14-12-18)33-23-16-24(32(2)3)28-22-10-5-4-9-21(22)23;1-16-5-4-6-19(13-16)28-26-29-25(30-31-26)18-7-9-20(10-8-18)33-24-14-17(2)27-23-15-21(32-3)11-12-22(23)24;2*1-16-4-3-5-19(14-16)28-25-29-24(30-31-25)17-6-9-20(10-7-17)32-23-12-13-27-22-15-18(26-2)8-11-21(22)23;1-31-19-9-10-20-21(14-19)26-12-11-22(20)32-18-7-5-17(6-8-18)27-24-28-23(29-30-24)15-3-2-4-16(25)13-15;1-12-5-4-6-16(11-12)27-21-28-18(30-31-21)15-7-9-17(10-8-15)32-19-13(2)14(3)26-20(29-19)22(23,24)25;1-14-4-3-5-15(10-14)11-20-24-13-18(25-20)16-6-8-17(9-7-16)28-21-12-19(23)26-22(27-21)29-2/h2-19H,20H2,1H3,(H2,33,34,35,36);2*4-16H,1-3H3,(H2,27,29,30,31);4-15H,1-3H3,(H2,28,29,30,31);2*3-15H,1H3,(H2,28,29,30,31);2-14H,1H3,(H2,27,28,29,30);4-11H,1-3H3,(H2,27,28,30,31);3-10,12-13H,11H2,1-2H3,(H,24,25)(H2,23,26,27).
What are the key properties of 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?
5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 3934.87 g/mol, XLogP of 55.14, 53 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine;bis(N,N-dimethyl-4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]quinolin-2-amine);5-[4-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;bis(5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine);5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;6-[4-[2-[(3-methylphenyl)methyl]-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 157498364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).