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

C89H97ClN10O15 — CID 91557248

IUPACN-[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
SMILESCCC(OCNc1ccc(Cl)c(NC(=O)C(c2nc3ccccc3c(=O)n2-c2ccccc2)N2C(=O)OC(C)(C)C2=O)c1)Oc1ccc(C)cc1C.CCCCCCCCCCCCCCOC(=O)c1ccc(OC)c(NC(=O)C(c2nc3ccccc3c(=O)n2-c2ccccc2)N2C(=O)C(OCC)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C50H59N5O8.C39H38ClN5O7/c1-4-6-7-8-9-10-11-12-13-14-15-24-33-63-49(59)37-31-32-42(61-3)41(34-37)52-45(56)43(55-47(58)48(62-5-2)53(50(55)60)35-36-25-18-16-19-26-36)44-51-40-30-23-22-29-39(40)46(57)54(44)38-27-20-17-21-28-38;1-6-32(51-31-19-16-23(2)20-24(31)3)50-22-41-25-17-18-28(40)30(21-25)43-35(46)33(45-37(48)39(4,5)52-38(45)49)34-42-29-15-11-10-14-27(29)36(47)44(34)26-12-8-7-9-13-26/h16-23,25-32,34,43,48H,4-15,24,33,35H2,1-3H3,(H,52,56);7-21,32-33,41H,6,22H2,1-5H3,(H,43,46)
InChIKeyQQDLZXLFUYTETO-UHFFFAOYSA-N
MW1582.26 g/mol
LogP17.05
Rot. Bonds36

About 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

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 (PubChem CID 91557248) has the molecular formula C89H97ClN10O15 and a molecular weight of 1582.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID91557248
Molecular FormulaC89H97ClN10O15
Molecular Weight1582.26 g/mol
Exact Mass1580.68
IUPAC NameN-[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
SMILESCCC(OCNc1ccc(Cl)c(NC(=O)C(c2nc3ccccc3c(=O)n2-c2ccccc2)N2C(=O)OC(C)(C)C2=O)c1)Oc1ccc(C)cc1C.CCCCCCCCCCCCCCOC(=O)c1ccc(OC)c(NC(=O)C(c2nc3ccccc3c(=O)n2-c2ccccc2)N2C(=O)C(OCC)N(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C50H59N5O8.C39H38ClN5O7/c1-4-6-7-8-9-10-11-12-13-14-15-24-33-63-49(59)37-31-32-42(61-3)41(34-37)52-45(56)43(55-47(58)48(62-5-2)53(50(55)60)35-36-25-18-16-19-26-36)44-51-40-30-23-22-29-39(40)46(57)54(44)38-27-20-17-21-28-38;1-6-32(51-31-19-16-23(2)20-24(31)3)50-22-41-25-17-18-28(40)30(21-25)43-35(46)33(45-37(48)39(4,5)52-38(45)49)34-42-29-15-11-10-14-27(29)36(47)44(34)26-12-8-7-9-13-26/h16-23,25-32,34,43,48H,4-15,24,33,35H2,1-3H3,(H,52,56);7-21,32-33,41H,6,22H2,1-5H3,(H,43,46)
InChIKeyQQDLZXLFUYTETO-UHFFFAOYSA-N
XLogP17.05
TPSA290.46 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001582.26
LogP ≤ 517.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 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 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-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-N-[2-chloro-5-[1-[4-methyl-2-(2-methylbutan-2-yl)phenoxy]propoxymethylamino]phenyl]-4,4-dimethyl-3-oxopentanamide
CID 20722333
N-[3-[[1-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3,3-dimethyl-2-oxobutyl]amino]-4-chlorophenyl]-2-(2,4-dimethylphenoxy)butanamide;dodecyl 3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate;(4-phenylmethoxyphenyl) 4-[1-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxybenzenesulfinate
CID 90873137
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
dodecyl 4-chloro-3-[[2-(4-ethoxy-3-methyl-2,5-dioxoimidazolidin-1-yl)-3-(4-methylphenyl)-3-oxopropanoyl]amino]benzoate
CID 59903027
N-[2-[2-[2-chloro-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]anilino]-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-oxoethyl]-4-oxobenzo[g]quinazolin-3-yl]-2,2-dimethylpropanamide
CID 59701962
dodecyl 4-chloro-3-[[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-3-(2,5-dimethylfuran-3-yl)-3-oxopropanoyl]amino]benzoate
CID 20820958
N-[3-[[2-(3-benzyl-4-ethoxy-2,5-dioxoimidazolidin-1-yl)-3-(1-ethylcyclopropyl)-3-oxopropanoyl]amino]-4-chlorophenyl]-2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamide;N-(2-chloro-5-methylphenyl)-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N'-methyl-N'-phenylpropanediamide
CID 91536515
1-[1-[2-chloro-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]anilino]-1,3-dioxo-3-(2,4,6-trimethylphenoxy)propan-2-yl]pyrazole-4-carboxylic acid
CID 59117935
dimethyl 1-[2-[2-methoxy-5-(2-methylbutoxycarbonyl)anilino]-1-(2-methyl-1,1-dioxo-1λ6,2,4-benzothiadiazin-3-yl)-2-oxoethyl]imidazole-4,5-dicarboxylate;dodecyl 3-[[2-(1-benzyl-5-ethoxy-2,4-dioxopyrrolidin-3-yl)-3-(4-methoxyphenyl)-3-oxopropanoyl]amino]-4-chlorobenzoate
CID 90693312
tetradecyl 3-[[2-ethoxy-1-(3-methyl-4-oxoquinazolin-2-yl)-2-oxoethyl]carbamoyloxy]-4-methoxybenzoate
CID 21015280
ethyl 2-[2-[2-[2-chloro-5-[[2-chloro-5-(methylsulfamoyl)phenyl]sulfamoyl]anilino]-1-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-oxoethyl]-4-oxoquinazolin-3-yl]acetate
CID 71213695
tetradecyl 3-[[2-(3-dodecyl-4-oxoquinazolin-2-yl)acetyl]amino]-4-methoxybenzoate
CID 21058999

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(OCNc1ccc(Cl)c(NC(=O)C(c2nc3ccccc3c(=O)n2-c2ccccc2)N2C(=O)OC(C)(C)C2=O)c1)Oc1ccc(C)cc1C.CCCCCCCCCCCCCCOC(=O)c1ccc(OC)c(NC(=O)C(c2nc3ccccc3c(=O)n2-c2ccccc2)N2C(=O)C(OCC)N(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 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?
The InChIKey is QQDLZXLFUYTETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H59N5O8.C39H38ClN5O7/c1-4-6-7-8-9-10-11-12-13-14-15-24-33-63-49(59)37-31-32-42(61-3)41(34-37)52-45(56)43(55-47(58)48(62-5-2)53(50(55)60)35-36-25-18-16-19-26-36)44-51-40-30-23-22-29-39(40)46(57)54(44)38-27-20-17-21-28-38;1-6-32(51-31-19-16-23(2)20-24(31)3)50-22-41-25-17-18-28(40)30(21-25)43-35(46)33(45-37(48)39(4,5)52-38(45)49)34-42-29-15-11-10-14-27(29)36(47)44(34)26-12-8-7-9-13-26/h16-23,25-32,34,43,48H,4-15,24,33,35H2,1-3H3,(H,52,56);7-21,32-33,41H,6,22H2,1-5H3,(H,43,46).
What are the key properties of 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?
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 has a molecular weight of 1582.26 g/mol, XLogP of 17.05, 36 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91557248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).