4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide

C234H264Cl5N33O25S3 — CID 157071866

IUPAC4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide
SMILESCCC(OCNc1ccc(C)c(NC(=O)/C(=N\c2ccc(N(CC)CC)cc2C)C2=NC(=O)C(CC)(CC)C(=O)N2c2ccccc2)c1)Oc1ccc(C)cc1C(C)(C)C.CCCCCCCCCCCCC(=O)NS(=O)(=O)c1cc(Cl)c(NC(=O)/C(=N\c2ccc(N(C)C)cc2)c2nc3ccccc3c(=O)n2-c2ccco2)cc1Cl.CCCCCCCCCCCCC(=O)Nc1ccccc1OCNc1ccc(Cl)c(NC(=O)/C(=N\c2ccc(N(CCC#N)CCC#N)cc2C)c2nc3occc3c(=O)n2-c2ccsc2)c1.CCCCCCCCCCCCS(=O)(=O)c1cc(Cl)c(NC(=O)/C(=N\c2ccc(N(CC)c3ccccc3)cc2C)c2nc(=O)c3ccccc3n2-c2ccccc2)cc1Cl.CCNc1ccc(/N=C(\C(=O)Nc2cc(C(=O)NCCOc3ccc(C)cc3C)ccc2NC(C)=O)c2nc3c(c(=O)n2-c2ccccc2)CCCC3)c(C)c1
InChIInChI=1S/C51H56ClN9O5S.C49H53Cl2N5O4S.C49H62N6O5.C44H47N7O5.C41H46Cl2N6O6S/c1-3-4-5-6-7-8-9-10-11-12-19-46(62)56-43-17-13-14-18-45(43)66-35-55-37-20-22-41(52)44(33-37)58-49(63)47(48-59-50-40(24-30-65-50)51(64)61(48)39-25-31-67-34-39)57-42-23-21-38(32-36(42)2)60(28-15-26-53)29-16-27-54;1-4-6-7-8-9-10-11-12-13-22-31-61(59,60)45-34-40(50)43(33-41(45)51)53-49(58)46(52-42-30-29-38(32-35(42)3)55(5-2)36-23-16-14-17-24-36)47-54-48(57)39-27-20-21-28-44(39)56(47)37-25-18-15-19-26-37;1-12-42(60-41-27-22-32(6)28-38(41)48(9,10)11)59-31-50-35-24-23-33(7)40(30-35)52-45(56)43(51-39-26-25-37(29-34(39)8)54(15-4)16-5)44-53-46(57)49(13-2,14-3)47(58)55(44)36-20-18-17-19-21-36;1-6-45-32-18-20-35(28(3)25-32)48-40(41-49-36-15-11-10-14-34(36)44(55)51(41)33-12-8-7-9-13-33)43(54)50-38-26-31(17-19-37(38)47-30(5)52)42(53)46-22-23-56-39-21-16-27(2)24-29(39)4;1-4-5-6-7-8-9-10-11-12-13-19-36(50)47-56(53,54)35-27-31(42)34(26-32(35)43)46-40(51)38(44-28-21-23-29(24-22-28)48(2)3)39-45-33-18-15-14-17-30(33)41(52)49(39)37-20-16-25-55-37/h13-14,17-18,20-25,30-34,55H,3-12,15-16,19,28-29,35H2,1-2H3,(H,56,62)(H,58,63);14-21,23-30,32-34H,4-13,22,31H2,1-3H3,(H,53,58);17-30,42,50H,12-16,31H2,1-11H3,(H,52,56);7-9,12-13,16-21,24-26,45H,6,10-11,14-15,22-23H2,1-5H3,(H,46,53)(H,47,52)(H,50,54);14-18,20-27H,4-13,19H2,1-3H3,(H,46,51)(H,47,50)/b57-47-;52-46-;51-43-;48-40-;44-38-
InChIKeyACNHEFAEIKMYAT-YYDVYZEASA-N
MW4212.36 g/mol
LogP51.37
Rot. Bonds95

About 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide

4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide (PubChem CID 157071866) has the molecular formula C234H264Cl5N33O25S3 and a molecular weight of 4212.36 g/mol. Its IUPAC name is 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide
PubChem CID157071866
Molecular FormulaC234H264Cl5N33O25S3
Molecular Weight4212.36 g/mol
Exact Mass4206.80
IUPAC Name4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide
SMILESCCC(OCNc1ccc(C)c(NC(=O)/C(=N\c2ccc(N(CC)CC)cc2C)C2=NC(=O)C(CC)(CC)C(=O)N2c2ccccc2)c1)Oc1ccc(C)cc1C(C)(C)C.CCCCCCCCCCCCC(=O)NS(=O)(=O)c1cc(Cl)c(NC(=O)/C(=N\c2ccc(N(C)C)cc2)c2nc3ccccc3c(=O)n2-c2ccco2)cc1Cl.CCCCCCCCCCCCC(=O)Nc1ccccc1OCNc1ccc(Cl)c(NC(=O)/C(=N\c2ccc(N(CCC#N)CCC#N)cc2C)c2nc3occc3c(=O)n2-c2ccsc2)c1.CCCCCCCCCCCCS(=O)(=O)c1cc(Cl)c(NC(=O)/C(=N\c2ccc(N(CC)c3ccccc3)cc2C)c2nc(=O)c3ccccc3n2-c2ccccc2)cc1Cl.CCNc1ccc(/N=C(\C(=O)Nc2cc(C(=O)NCCOc3ccc(C)cc3C)ccc2NC(C)=O)c2nc3c(c(=O)n2-c2ccccc2)CCCC3)c(C)c1
InChIInChI=1S/C51H56ClN9O5S.C49H53Cl2N5O4S.C49H62N6O5.C44H47N7O5.C41H46Cl2N6O6S/c1-3-4-5-6-7-8-9-10-11-12-19-46(62)56-43-17-13-14-18-45(43)66-35-55-37-20-22-41(52)44(33-37)58-49(63)47(48-59-50-40(24-30-65-50)51(64)61(48)39-25-31-67-34-39)57-42-23-21-38(32-36(42)2)60(28-15-26-53)29-16-27-54;1-4-6-7-8-9-10-11-12-13-22-31-61(59,60)45-34-40(50)43(33-41(45)51)53-49(58)46(52-42-30-29-38(32-35(42)3)55(5-2)36-23-16-14-17-24-36)47-54-48(57)39-27-20-21-28-44(39)56(47)37-25-18-15-19-26-37;1-12-42(60-41-27-22-32(6)28-38(41)48(9,10)11)59-31-50-35-24-23-33(7)40(30-35)52-45(56)43(51-39-26-25-37(29-34(39)8)54(15-4)16-5)44-53-46(57)49(13-2,14-3)47(58)55(44)36-20-18-17-19-21-36;1-6-45-32-18-20-35(28(3)25-32)48-40(41-49-36-15-11-10-14-34(36)44(55)51(41)33-12-8-7-9-13-33)43(54)50-38-26-31(17-19-37(38)47-30(5)52)42(53)46-22-23-56-39-21-16-27(2)24-29(39)4;1-4-5-6-7-8-9-10-11-12-13-19-36(50)47-56(53,54)35-27-31(42)34(26-32(35)43)46-40(51)38(44-28-21-23-29(24-22-28)48(2)3)39-45-33-18-15-14-17-30(33)41(52)49(39)37-20-16-25-55-37/h13-14,17-18,20-25,30-34,55H,3-12,15-16,19,28-29,35H2,1-2H3,(H,56,62)(H,58,63);14-21,23-30,32-34H,4-13,22,31H2,1-3H3,(H,53,58);17-30,42,50H,12-16,31H2,1-11H3,(H,52,56);7-9,12-13,16-21,24-26,45H,6,10-11,14-15,22-23H2,1-5H3,(H,46,53)(H,47,52)(H,50,54);14-18,20-27H,4-13,19H2,1-3H3,(H,46,51)(H,47,50)/b57-47-;52-46-;51-43-;48-40-;44-38-
InChIKeyACNHEFAEIKMYAT-YYDVYZEASA-N
XLogP51.37
TPSA741.11 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds95
Heavy Atoms300
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004212.36
LogP ≤ 551.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide 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

4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide;N-[2-[1-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-2-(2-chloroanilino)-2-oxoethyl]-4-oxo-3-phenylquinazolin-8-yl]hexadecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide;ethyl 1-[2-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylanilino]-1-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)-2-oxoethyl]-1,2,4-triazole-3-carboxylate;ethyl 1-[2-(5-chloro-2-dodecoxyanilino)-2-oxo-1-(4-oxo-3,6-diphenylpyrrolo[3,4-d]pyrimidin-2-yl)ethyl]-5-methyltriazole-4-carboxylate
CID 160583646
N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-(1-dodecoxy-5,5-diethyl-4,6-dioxopyrimidin-2-yl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]iminoacetamide;N-[2-[[2-(2-chloroanilino)-1-[8-(hexadecanoylamino)-3-methoxy-4-oxoquinazolin-2-yl]-2-oxoethylidene]amino]-5-(diethylamino)phenyl]benzamide
CID 91477991
2-[4-[bis(1-cyanoethyl)amino]-2-methylphenyl]imino-N-(2-chloro-5-formamidophenyl)-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetamide
CID 89376895
N-[2-[[4-chloro-3-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)-2-[4-oxo-3-(pyridin-2-ylamino)furo[2,3-d]pyrimidin-2-yl]acetyl]amino]anilino]methoxy]phenyl]tridecanamide
CID 59701990
N-[2-chloro-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)acetamide;tetradecyl 3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)acetyl]amino]-4-methoxybenzoate
CID 91557248
ethyl 2-[2-[C-[[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]phenyl]carbamoyl]-N-[4-(ethylamino)-2-methylphenyl]carbonimidoyl]-4-oxoquinazolin-3-yl]acetate
CID 89376956
11-[2-[N-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]-C-[(2-methoxyphenyl)carbamoyl]carbonimidoyl]-4-oxoquinazolin-3-yl]undecanoic acid
CID 59800119
dodecyl 4-chloro-3-[[2-(3-ethoxy-6,7-diisocyano-4-oxoquinazolin-2-yl)-2-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]iminoacetyl]amino]benzoate
CID 59701970
N-[4-[6-tert-butyl-7-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]iminopyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]butanamide;2-chloro-N-[4-[4-(diethylamino)phenyl]imino-5-oxo-1-(2,4,6-trichlorophenyl)pyrazol-3-yl]-5-methylbenzamide;N-[2-chloro-5-[2-(2,4-dimethylphenoxy)hexanoylamino]phenyl]-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-4,4-dimethyl-3-oxopentanamide;N-[4-chloro-3-[[3-(1-ethylcyclopropyl)-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]imino-3-oxopropanoyl]amino]phenyl]-2-(2,4-dimethylphenoxy)butanamide;dodecyl 4-chloro-3-[[2-[4-(diethylamino)-2-methylphenyl]imino-4,4-dimethyl-3-oxopentanoyl]amino]benzoate;5-[4-[ethyl(2-isocyanoethyl)amino]phenyl]imino-6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-[(2,4,6-trimethylcyclohexyl)oxymethoxy]pyrrolo[1,2-b][1,2,4]triazole;hexyl 3-[7-[4-[2-hydroxyethyl(methyl)amino]-2-methylphenyl]imino-6-methylpyrazolo[1,5-b][1,2,4]triazol-2-yl]butanimidate;1-methoxy-2,4-dimethylbenzene
CID 158370183
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[4-[(6-chloro-1,3-benzoxazol-2-yl)diazenyl]-N-ethyl-2-methylanilino]ethyl]propanamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-(dioctylamino)phenyl]acetamide;N-[2-[[3-tert-butyl-4-cyano-1-[2,6-dichloro-4-(heptan-3-yloxymethylamino)phenyl]pyrazol-5-yl]diazenyl]-5-[di(propan-2-yl)amino]phenyl]acetamide;2,5-dichloro-4-[5-[(7-chloro-1-methyl-3,4-dihydro-2H-quinolin-6-yl)diazenyl]-4-cyanopyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)benzenesulfonamide;ethane
CID 159472294
N-(5-chloro-2-methoxyphenyl)-2-[2-[3-(2,4-dimethylphenoxy)propyl]-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl]-2-[4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylphenyl]iminoacetamide
CID 58825259
N-[3-[[2-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-methoxyphenyl]tetradecanamide;2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-3-oxopentanamide;2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-N-[5-[(3-dodecylsulfonyl-2-methylpropanoyl)amino]-2-methoxyphenyl]-4,4-dimethyl-3-oxopentanamide;N-(2-chloro-5-methylphenyl)-2-(4-methylphenoxy)propanamide;dodecyl 3-[[2-(1-butyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate
CID 54256750

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide?
The IUPAC name of 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide (CID 157071866) is 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide.
What is the SMILES notation for 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide?
The canonical SMILES for 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide is CCC(OCNc1ccc(C)c(NC(=O)/C(=N\c2ccc(N(CC)CC)cc2C)C2=NC(=O)C(CC)(CC)C(=O)N2c2ccccc2)c1)Oc1ccc(C)cc1C(C)(C)C.CCCCCCCCCCCCC(=O)NS(=O)(=O)c1cc(Cl)c(NC(=O)/C(=N\c2ccc(N(C)C)cc2)c2nc3ccccc3c(=O)n2-c2ccco2)cc1Cl.CCCCCCCCCCCCC(=O)Nc1ccccc1OCNc1ccc(Cl)c(NC(=O)/C(=N\c2ccc(N(CCC#N)CCC#N)cc2C)c2nc3occc3c(=O)n2-c2ccsc2)c1.CCCCCCCCCCCCS(=O)(=O)c1cc(Cl)c(NC(=O)/C(=N\c2ccc(N(CC)c3ccccc3)cc2C)c2nc(=O)c3ccccc3n2-c2ccccc2)cc1Cl.CCNc1ccc(/N=C(\C(=O)Nc2cc(C(=O)NCCOc3ccc(C)cc3C)ccc2NC(C)=O)c2nc3c(c(=O)n2-c2ccccc2)CCCC3)c(C)c1.
What is the InChIKey of 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide?
The InChIKey is ACNHEFAEIKMYAT-YYDVYZEASA-N. The full InChI is InChI=1S/C51H56ClN9O5S.C49H53Cl2N5O4S.C49H62N6O5.C44H47N7O5.C41H46Cl2N6O6S/c1-3-4-5-6-7-8-9-10-11-12-19-46(62)56-43-17-13-14-18-45(43)66-35-55-37-20-22-41(52)44(33-37)58-49(63)47(48-59-50-40(24-30-65-50)51(64)61(48)39-25-31-67-34-39)57-42-23-21-38(32-36(42)2)60(28-15-26-53)29-16-27-54;1-4-6-7-8-9-10-11-12-13-22-31-61(59,60)45-34-40(50)43(33-41(45)51)53-49(58)46(52-42-30-29-38(32-35(42)3)55(5-2)36-23-16-14-17-24-36)47-54-48(57)39-27-20-21-28-44(39)56(47)37-25-18-15-19-26-37;1-12-42(60-41-27-22-32(6)28-38(41)48(9,10)11)59-31-50-35-24-23-33(7)40(30-35)52-45(56)43(51-39-26-25-37(29-34(39)8)54(15-4)16-5)44-53-46(57)49(13-2,14-3)47(58)55(44)36-20-18-17-19-21-36;1-6-45-32-18-20-35(28(3)25-32)48-40(41-49-36-15-11-10-14-34(36)44(55)51(41)33-12-8-7-9-13-33)43(54)50-38-26-31(17-19-37(38)47-30(5)52)42(53)46-22-23-56-39-21-16-27(2)24-29(39)4;1-4-5-6-7-8-9-10-11-12-13-19-36(50)47-56(53,54)35-27-31(42)34(26-32(35)43)46-40(51)38(44-28-21-23-29(24-22-28)48(2)3)39-45-33-18-15-14-17-30(33)41(52)49(39)37-20-16-25-55-37/h13-14,17-18,20-25,30-34,55H,3-12,15-16,19,28-29,35H2,1-2H3,(H,56,62)(H,58,63);14-21,23-30,32-34H,4-13,22,31H2,1-3H3,(H,53,58);17-30,42,50H,12-16,31H2,1-11H3,(H,52,56);7-9,12-13,16-21,24-26,45H,6,10-11,14-15,22-23H2,1-5H3,(H,46,53)(H,47,52)(H,50,54);14-18,20-27H,4-13,19H2,1-3H3,(H,46,51)(H,47,50)/b57-47-;52-46-;51-43-;48-40-;44-38-.
What are the key properties of 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide?
4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide has a molecular weight of 4212.36 g/mol, XLogP of 51.37, 95 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(2,4-dimethylphenoxy)ethyl]-3-[[2-[4-(ethylamino)-2-methylphenyl]imino-2-(4-oxo-3-phenyl-5,6,7,8-tetrahydroquinazolin-2-yl)acetyl]amino]benzamide;N-[2-[[3-[[2-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]imino-2-(4-oxo-3-thiophen-3-ylfuro[2,3-d]pyrimidin-2-yl)acetyl]amino]-4-chloroanilino]methoxy]phenyl]tridecanamide;N-[5-[1-(2-tert-butyl-4-methylphenoxy)propoxymethylamino]-2-methylphenyl]-2-[4-(diethylamino)-2-methylphenyl]imino-2-(5,5-diethyl-4,6-dioxo-1-phenylpyrimidin-2-yl)acetamide;N-[2,5-dichloro-4-[[2-[4-(dimethylamino)phenyl]imino-2-[3-(furan-2-yl)-4-oxoquinazolin-2-yl]acetyl]amino]phenyl]sulfonyltridecanamide;N-(2,5-dichloro-4-dodecylsulfonylphenyl)-2-[4-(N-ethylanilino)-2-methylphenyl]imino-2-(4-oxo-1-phenylquinazolin-2-yl)acetamide is sourced from PubChem (CID 157071866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).