N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione

C152H121N9O28 — CID 157331553

IUPACN-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione
SMILESCC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(C)=O)c1C2=O.CCCCNc1cc(C(=O)OCCCC)c(N)c2c1C(=O)c1ccccc1C2=O.Cc1ccc(C)c2c1C(=O)c1ccccc1C2=O.O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1.O=C1c2c(O)ccc(O)c2C(=O)c2c(Nc3ccccc3)ccc(O)c21.O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(O)c21.O=C1c2ccccc2C(=O)c2c(Nc3ccc(OCc4ccccc4)cc3)ccc(O)c21
InChIInChI=1S/C28H18N2O4.C27H19NO4.C23H26N2O4.C20H13NO5.C20H19NO3.C18H14N2O6.C16H12O2/c31-25-20-14-8-16-22(30-28(34)18-11-5-2-6-12-18)24(20)26(32)19-13-7-15-21(23(19)25)29-27(33)17-9-3-1-4-10-17;29-23-15-14-22(24-25(23)27(31)21-9-5-4-8-20(21)26(24)30)28-18-10-12-19(13-11-18)32-16-17-6-2-1-3-7-17;1-3-5-11-25-17-13-16(23(28)29-12-6-4-2)20(24)19-18(17)21(26)14-9-7-8-10-15(14)22(19)27;22-12-7-6-11(21-10-4-2-1-3-5-10)15-16(12)20(26)18-14(24)9-8-13(23)17(18)19(15)25;22-16-11-10-15(21-12-6-2-1-3-7-12)17-18(16)20(24)14-9-5-4-8-13(14)19(17)23;1-7(21)19-9-3-5-11(23)15-13(9)17(25)16-12(24)6-4-10(20-8(2)22)14(16)18(15)26;1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18/h1-16H,(H,29,33)(H,30,34);1-15,28-29H,16H2;7-10,13,25H,3-6,11-12,24H2,1-2H3;1-9,21-24H;4-5,8-12,21-22H,1-3,6-7H2;3-6,23-24H,1-2H3,(H,19,21)(H,20,22);3-8H,1-2H3
InChIKeyBFIOTZQLJGQHAI-UHFFFAOYSA-N
MW2521.67 g/mol
LogP26.77
Rot. Bonds23

About N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione

N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione (PubChem CID 157331553) has the molecular formula C152H121N9O28 and a molecular weight of 2521.67 g/mol. Its IUPAC name is N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione.

Molecular Properties

Compound NameN-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione
PubChem CID157331553
Molecular FormulaC152H121N9O28
Molecular Weight2521.67 g/mol
Exact Mass2519.83
IUPAC NameN-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione
SMILESCC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(C)=O)c1C2=O.CCCCNc1cc(C(=O)OCCCC)c(N)c2c1C(=O)c1ccccc1C2=O.Cc1ccc(C)c2c1C(=O)c1ccccc1C2=O.O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1.O=C1c2c(O)ccc(O)c2C(=O)c2c(Nc3ccccc3)ccc(O)c21.O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(O)c21.O=C1c2ccccc2C(=O)c2c(Nc3ccc(OCc4ccccc4)cc3)ccc(O)c21
InChIInChI=1S/C28H18N2O4.C27H19NO4.C23H26N2O4.C20H13NO5.C20H19NO3.C18H14N2O6.C16H12O2/c31-25-20-14-8-16-22(30-28(34)18-11-5-2-6-12-18)24(20)26(32)19-13-7-15-21(23(19)25)29-27(33)17-9-3-1-4-10-17;29-23-15-14-22(24-25(23)27(31)21-9-5-4-8-20(21)26(24)30)28-18-10-12-19(13-11-18)32-16-17-6-2-1-3-7-17;1-3-5-11-25-17-13-16(23(28)29-12-6-4-2)20(24)19-18(17)21(26)14-9-7-8-10-15(14)22(19)27;22-12-7-6-11(21-10-4-2-1-3-5-10)15-16(12)20(26)18-14(24)9-8-13(23)17(18)19(15)25;22-16-11-10-15(21-12-6-2-1-3-7-12)17-18(16)20(24)14-9-5-4-8-13(14)19(17)23;1-7(21)19-9-3-5-11(23)15-13(9)17(25)16-12(24)6-4-10(20-8(2)22)14(16)18(15)26;1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18/h1-16H,(H,29,33)(H,30,34);1-15,28-29H,16H2;7-10,13,25H,3-6,11-12,24H2,1-2H3;1-9,21-24H;4-5,8-12,21-22H,1-3,6-7H2;3-6,23-24H,1-2H3,(H,19,21)(H,20,22);3-8H,1-2H3
InChIKeyBFIOTZQLJGQHAI-UHFFFAOYSA-N
XLogP26.77
TPSA606.66 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002521.67
LogP ≤ 526.77
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione?
The IUPAC name of N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione (CID 157331553) is N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione.
What is the SMILES notation for N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione?
The canonical SMILES for N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione is CC(=O)Nc1ccc(O)c2c1C(=O)c1c(O)ccc(NC(C)=O)c1C2=O.CCCCNc1cc(C(=O)OCCCC)c(N)c2c1C(=O)c1ccccc1C2=O.Cc1ccc(C)c2c1C(=O)c1ccccc1C2=O.O=C(Nc1cccc2c1C(=O)c1cccc(NC(=O)c3ccccc3)c1C2=O)c1ccccc1.O=C1c2c(O)ccc(O)c2C(=O)c2c(Nc3ccccc3)ccc(O)c21.O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(O)c21.O=C1c2ccccc2C(=O)c2c(Nc3ccc(OCc4ccccc4)cc3)ccc(O)c21.
What is the InChIKey of N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione?
The InChIKey is BFIOTZQLJGQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O4.C27H19NO4.C23H26N2O4.C20H13NO5.C20H19NO3.C18H14N2O6.C16H12O2/c31-25-20-14-8-16-22(30-28(34)18-11-5-2-6-12-18)24(20)26(32)19-13-7-15-21(23(19)25)29-27(33)17-9-3-1-4-10-17;29-23-15-14-22(24-25(23)27(31)21-9-5-4-8-20(21)26(24)30)28-18-10-12-19(13-11-18)32-16-17-6-2-1-3-7-17;1-3-5-11-25-17-13-16(23(28)29-12-6-4-2)20(24)19-18(17)21(26)14-9-7-8-10-15(14)22(19)27;22-12-7-6-11(21-10-4-2-1-3-5-10)15-16(12)20(26)18-14(24)9-8-13(23)17(18)19(15)25;22-16-11-10-15(21-12-6-2-1-3-7-12)17-18(16)20(24)14-9-5-4-8-13(14)19(17)23;1-7(21)19-9-3-5-11(23)15-13(9)17(25)16-12(24)6-4-10(20-8(2)22)14(16)18(15)26;1-9-7-8-10(2)14-13(9)15(17)11-5-3-4-6-12(11)16(14)18/h1-16H,(H,29,33)(H,30,34);1-15,28-29H,16H2;7-10,13,25H,3-6,11-12,24H2,1-2H3;1-9,21-24H;4-5,8-12,21-22H,1-3,6-7H2;3-6,23-24H,1-2H3,(H,19,21)(H,20,22);3-8H,1-2H3.
What are the key properties of N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione?
N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione has a molecular weight of 2521.67 g/mol, XLogP of 26.77, 23 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)acetamide;1-anilino-4,5,8-trihydroxyanthracene-9,10-dione;N-(5-benzamido-9,10-dioxoanthracen-1-yl)benzamide;butyl 1-amino-4-(butylamino)-9,10-dioxoanthracene-2-carboxylate;1-(cyclohexylamino)-4-hydroxyanthracene-9,10-dione;1,4-dimethylanthracene-9,10-dione;1-hydroxy-4-(4-phenylmethoxyanilino)anthracene-9,10-dione is sourced from PubChem (CID 157331553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).