4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione

C104H87N15O24 — CID 158931388

IUPAC4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione
SMILESCCn1nc2c(c1-c1ccc(O)cc1)C(=O)c1c(NC(=O)NN3CCOCC3)cccc1-2.Nc1cccc2c1C(=O)C(C(=O)c1ccc(O)cc1)C2=O.O=C(Nc1cccc2c1C(=O)C(C(=O)c1ccc(O)cc1)C2=O)NN1CCOCC1.O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(O)cc3)n[nH]c1-2)NN1CCOCC1.O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C23H23N5O4.C23H15NO6.C21H19N5O4.C21H19N3O6.C16H11NO4/c1-2-28-21(14-6-8-15(29)9-7-14)19-20(25-28)16-4-3-5-17(18(16)22(19)30)24-23(31)26-27-10-12-32-13-11-27;25-21(15-9-11-16(12-10-15)30-13-14-5-2-1-3-6-14)20-22(26)17-7-4-8-18(24(28)29)19(17)23(20)27;27-13-6-4-12(5-7-13)18-17-19(24-23-18)14-2-1-3-15(16(14)20(17)28)22-21(29)25-26-8-10-30-11-9-26;25-13-6-4-12(5-7-13)18(26)17-19(27)14-2-1-3-15(16(14)20(17)28)22-21(29)23-24-8-10-30-11-9-24;17-11-3-1-2-10-12(11)16(21)13(15(10)20)14(19)8-4-6-9(18)7-5-8/h3-9,29H,2,10-13H2,1H3,(H2,24,26,31);1-12,20H,13H2;1-7,27H,8-11H2,(H,23,24)(H2,22,25,29);1-7,17,25H,8-11H2,(H2,22,23,29);1-7,13,18H,17H2
InChIKeyJJCIYYQBAIEMDC-UHFFFAOYSA-N
MW1930.92 g/mol
LogP12.76
Rot. Bonds19

About 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione

4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione (PubChem CID 158931388) has the molecular formula C104H87N15O24 and a molecular weight of 1930.92 g/mol. Its IUPAC name is 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione.

Molecular Properties

Compound Name4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione
PubChem CID158931388
Molecular FormulaC104H87N15O24
Molecular Weight1930.92 g/mol
Exact Mass1929.60
IUPAC Name4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione
SMILESCCn1nc2c(c1-c1ccc(O)cc1)C(=O)c1c(NC(=O)NN3CCOCC3)cccc1-2.Nc1cccc2c1C(=O)C(C(=O)c1ccc(O)cc1)C2=O.O=C(Nc1cccc2c1C(=O)C(C(=O)c1ccc(O)cc1)C2=O)NN1CCOCC1.O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(O)cc3)n[nH]c1-2)NN1CCOCC1.O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)c2cccc([N+](=O)[O-])c2C1=O
InChIInChI=1S/C23H23N5O4.C23H15NO6.C21H19N5O4.C21H19N3O6.C16H11NO4/c1-2-28-21(14-6-8-15(29)9-7-14)19-20(25-28)16-4-3-5-17(18(16)22(19)30)24-23(31)26-27-10-12-32-13-11-27;25-21(15-9-11-16(12-10-15)30-13-14-5-2-1-3-6-14)20-22(26)17-7-4-8-18(24(28)29)19(17)23(20)27;27-13-6-4-12(5-7-13)18-17-19(24-23-18)14-2-1-3-15(16(14)20(17)28)22-21(29)25-26-8-10-30-11-9-26;25-13-6-4-12(5-7-13)18(26)17-19(27)14-2-1-3-15(16(14)20(17)28)22-21(29)23-24-8-10-30-11-9-24;17-11-3-1-2-10-12(11)16(21)13(15(10)20)14(19)8-4-6-9(18)7-5-8/h3-9,29H,2,10-13H2,1H3,(H2,24,26,31);1-12,20H,13H2;1-7,27H,8-11H2,(H,23,24)(H2,22,25,29);1-7,17,25H,8-11H2,(H2,22,23,29);1-7,13,18H,17H2
InChIKeyJJCIYYQBAIEMDC-UHFFFAOYSA-N
XLogP12.76
TPSA554.38 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds19
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.92
LogP ≤ 512.76
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione with MolForge

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Related Compounds

1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea
CID 70793127
ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
CID 143160800
2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 58741117
1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 11285002
1-[3-[4-[6-hydroxy-4-(2-hydroxyethyl)-3-methylidenehexoxy]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 143160799
1-morpholin-4-yl-3-[4-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea;dihydrochloride
CID 162322680
1-morpholin-4-yl-3-[4-oxo-3-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 70154952
2-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
1-[4-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]urea
CID 142952491
cyclopentylmethanol;(3Z)-3-ethyl-6-methylhepta-1,3,5-triene;1-(3-methyl-4-oxo-2H-indeno[1,2-c]pyrazol-5-yl)-3-morpholin-4-ylurea
CID 143073782
2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329739
1-acetyl-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(2-phenylethylamino)urea
CID 69470511

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione?
The IUPAC name of 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione (CID 158931388) is 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione.
What is the SMILES notation for 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione?
The canonical SMILES for 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione is CCn1nc2c(c1-c1ccc(O)cc1)C(=O)c1c(NC(=O)NN3CCOCC3)cccc1-2.Nc1cccc2c1C(=O)C(C(=O)c1ccc(O)cc1)C2=O.O=C(Nc1cccc2c1C(=O)C(C(=O)c1ccc(O)cc1)C2=O)NN1CCOCC1.O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(O)cc3)n[nH]c1-2)NN1CCOCC1.O=C(c1ccc(OCc2ccccc2)cc1)C1C(=O)c2cccc([N+](=O)[O-])c2C1=O.
What is the InChIKey of 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione?
The InChIKey is JJCIYYQBAIEMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4.C23H15NO6.C21H19N5O4.C21H19N3O6.C16H11NO4/c1-2-28-21(14-6-8-15(29)9-7-14)19-20(25-28)16-4-3-5-17(18(16)22(19)30)24-23(31)26-27-10-12-32-13-11-27;25-21(15-9-11-16(12-10-15)30-13-14-5-2-1-3-6-14)20-22(26)17-7-4-8-18(24(28)29)19(17)23(20)27;27-13-6-4-12(5-7-13)18-17-19(24-23-18)14-2-1-3-15(16(14)20(17)28)22-21(29)25-26-8-10-30-11-9-26;25-13-6-4-12(5-7-13)18(26)17-19(27)14-2-1-3-15(16(14)20(17)28)22-21(29)23-24-8-10-30-11-9-24;17-11-3-1-2-10-12(11)16(21)13(15(10)20)14(19)8-4-6-9(18)7-5-8/h3-9,29H,2,10-13H2,1H3,(H2,24,26,31);1-12,20H,13H2;1-7,27H,8-11H2,(H,23,24)(H2,22,25,29);1-7,17,25H,8-11H2,(H2,22,23,29);1-7,13,18H,17H2.
What are the key properties of 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione?
4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione has a molecular weight of 1930.92 g/mol, XLogP of 12.76, 19 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-hydroxybenzoyl)indene-1,3-dione;1-[2-ethyl-3-(4-hydroxyphenyl)-4-oxoindeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea;1-[2-(4-hydroxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea;1-[3-(4-hydroxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;4-nitro-2-(4-phenylmethoxybenzoyl)indene-1,3-dione is sourced from PubChem (CID 158931388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).