(4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione

C117H107FN14O34 — CID 158750552

About (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione

(4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione (PubChem CID 158750552) has the molecular formula C117H107FN14O34 and a molecular weight of 2272.20 g/mol. Its IUPAC name is (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione.

Molecular Properties

• Compound Name: (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione
• PubChem CID: 158750552
• Molecular Formula: C117H107FN14O34
• Molecular Weight: 2272.20 g/mol
• Exact Mass: 2270.71
• IUPAC Name: (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione
• SMILES: CC1=CC(=O)c2c(cc(CO)n2C)C1=O.CC1=CC(=O)c2c(cc(COC(=O)Nc3ccc(CO)cc3)n2C)C1=O.CC1=CC(=O)c2c(cc(COC(=O)Nc3ccc(COC(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)n2C)C1=O.CC1=CC(=O)c2c(cc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)n2C)C1=O.CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)OCc4ccc(NC(=O)OCc5cc6c(n5C)C(=O)C=C(C)C6=O)cc4)CC3)cc21.Nc1ccc(CO)cc1
• InChI: InChI=1S/C36H34FN5O9.C26H21N3O9.C19H18N2O5.C18H14N2O7.C11H11NO3.C7H9NO/c1-4-40-17-26(34(46)47)33(45)24-15-27(37)29(16-28(24)40)41-9-11-42(12-10-41)36(49)51-18-21-5-7-22(8-6-21)38-35(48)50-19-23-14-25-31(39(23)3)30(43)13-20(2)32(25)44;1-15-11-22(30)23-21(24(15)31)12-19(28(23)2)14-36-25(32)27-17-5-3-16(4-6-17)13-37-26(33)38-20-9-7-18(8-10-20)29(34)35;1-11-7-16(23)17-15(18(11)24)8-14(21(17)2)10-26-19(25)20-13-5-3-12(9-22)4-6-13;1-10-7-15(21)16-14(17(10)22)8-12(19(16)2)9-26-18(23)27-13-5-3-11(4-6-13)20(24)25;1-6-3-9(14)10-8(11(6)15)4-7(5-13)12(10)2;8-7-3-1-6(5-9)2-4-7/h5-8,13-17H,4,9-12,18-19H2,1-3H3,(H,38,48)(H,46,47);3-12H,13-14H2,1-2H3,(H,27,32);3-8,22H,9-10H2,1-2H3,(H,20,25);3-8H,9H2,1-2H3;3-4,13H,5H2,1-2H3;1-4,9H,5,8H2
• InChIKey: INKPNMAWCVKFDO-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 646.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 41
• Rotatable Bonds: 25
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2272.20
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione?

The IUPAC name of (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione (CID 158750552) is (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione.

What is the SMILES notation for (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione?

The canonical SMILES for (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione is CC1=CC(=O)c2c(cc(CO)n2C)C1=O.CC1=CC(=O)c2c(cc(COC(=O)Nc3ccc(CO)cc3)n2C)C1=O.CC1=CC(=O)c2c(cc(COC(=O)Nc3ccc(COC(=O)Oc4ccc([N+](=O)[O-])cc4)cc3)n2C)C1=O.CC1=CC(=O)c2c(cc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)n2C)C1=O.CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)OCc4ccc(NC(=O)OCc5cc6c(n5C)C(=O)C=C(C)C6=O)cc4)CC3)cc21.Nc1ccc(CO)cc1.

What is the InChIKey of (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione?

The InChIKey is INKPNMAWCVKFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34FN5O9.C26H21N3O9.C19H18N2O5.C18H14N2O7.C11H11NO3.C7H9NO/c1-4-40-17-26(34(46)47)33(45)24-15-27(37)29(16-28(24)40)41-9-11-42(12-10-41)36(49)51-18-21-5-7-22(8-6-21)38-35(48)50-19-23-14-25-31(39(23)3)30(43)13-20(2)32(25)44;1-15-11-22(30)23-21(24(15)31)12-19(28(23)2)14-36-25(32)27-17-5-3-16(4-6-17)13-37-26(33)38-20-9-7-18(8-10-20)29(34)35;1-11-7-16(23)17-15(18(11)24)8-14(21(17)2)10-26-19(25)20-13-5-3-12(9-22)4-6-13;1-10-7-15(21)16-14(17(10)22)8-12(19(16)2)9-26-18(23)27-13-5-3-11(4-6-13)20(24)25;1-6-3-9(14)10-8(11(6)15)4-7(5-13)12(10)2;8-7-3-1-6(5-9)2-4-7/h5-8,13-17H,4,9-12,18-19H2,1-3H3,(H,38,48)(H,46,47);3-12H,13-14H2,1-2H3,(H,27,32);3-8,22H,9-10H2,1-2H3,(H,20,25);3-8H,9H2,1-2H3;3-4,13H,5H2,1-2H3;1-4,9H,5,8H2.

What are the key properties of (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione?

(4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione has a molecular weight of 2272.20 g/mol, XLogP of 16.62, 25 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (4-aminophenyl)methanol;7-[4-[[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;[4-[(1,5-dimethyl-4,7-dioxoindol-2-yl)methoxycarbonylamino]phenyl]methyl (4-nitrophenyl) carbonate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl N-[4-(hydroxymethyl)phenyl]carbamate;(1,5-dimethyl-4,7-dioxoindol-2-yl)methyl (4-nitrophenyl) carbonate;2-(hydroxymethyl)-1,5-dimethylindole-4,7-dione is sourced from PubChem (CID 158750552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).