disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite

C109H116ClN14Na2O25P — CID 157373852

IUPACdisodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)cc(-c2cc4ccccc4[nH]c2=O)n3C(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(C(=O)O)ccc21.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(C=O)ccc21.O=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CCNCC1.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C32H36N4O6.C23H20N2O5.C23H20N2O4.C22H20N4O2.C9H18N2O2.ClO2.2Na.HO4P.H/c1-31(2,3)41-29(39)35-15-13-34(14-16-35)28(38)21-11-12-25-22(17-21)19-26(36(25)30(40)42-32(4,5)6)23-18-20-9-7-8-10-24(20)33-27(23)37;1-23(2,3)30-22(29)25-18-9-8-14(21(27)28)10-15(18)12-19(25)16-11-13-6-4-5-7-17(13)24-20(16)26;1-23(2,3)29-22(28)25-19-9-8-14(13-26)10-16(19)12-20(25)17-11-15-6-4-5-7-18(15)24-21(17)27;27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26;1-9(2,3)13-8(12)11-6-4-10-5-7-11;2-1-3;;;1-4-5(2)3;/h7-12,17-19H,13-16H2,1-6H3,(H,33,37);4-12H,1-3H3,(H,24,26)(H,27,28);4-13H,1-3H3,(H,24,27);1-6,11-13,23-24H,7-10H2,(H,25,27);10H,4-7H2,1-3H3;;;;1H;/q;;;;;-1;2*+1;;-1
InChIKeyLAUIQMKXVUCAOS-UHFFFAOYSA-N
MW2134.61 g/mol
LogP9.79
Rot. Bonds9

About disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite

disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite (PubChem CID 157373852) has the molecular formula C109H116ClN14Na2O25P and a molecular weight of 2134.61 g/mol. Its IUPAC name is disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite.

Molecular Properties

Compound Namedisodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite
PubChem CID157373852
Molecular FormulaC109H116ClN14Na2O25P
Molecular Weight2134.61 g/mol
Exact Mass2132.75
IUPAC Namedisodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)cc(-c2cc4ccccc4[nH]c2=O)n3C(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(C(=O)O)ccc21.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(C=O)ccc21.O=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CCNCC1.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C32H36N4O6.C23H20N2O5.C23H20N2O4.C22H20N4O2.C9H18N2O2.ClO2.2Na.HO4P.H/c1-31(2,3)41-29(39)35-15-13-34(14-16-35)28(38)21-11-12-25-22(17-21)19-26(36(25)30(40)42-32(4,5)6)23-18-20-9-7-8-10-24(20)33-27(23)37;1-23(2,3)30-22(29)25-18-9-8-14(21(27)28)10-15(18)12-19(25)16-11-13-6-4-5-7-17(13)24-20(16)26;1-23(2,3)29-22(28)25-19-9-8-14(13-26)10-16(19)12-20(25)17-11-15-6-4-5-7-18(15)24-21(17)27;27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26;1-9(2,3)13-8(12)11-6-4-10-5-7-11;2-1-3;;;1-4-5(2)3;/h7-12,17-19H,13-16H2,1-6H3,(H,33,37);4-12H,1-3H3,(H,24,26)(H,27,28);4-13H,1-3H3,(H,24,27);1-6,11-13,23-24H,7-10H2,(H,25,27);10H,4-7H2,1-3H3;;;;1H;/q;;;;;-1;2*+1;;-1
InChIKeyLAUIQMKXVUCAOS-UHFFFAOYSA-N
XLogP9.79
TPSA534.76 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds9
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002134.61
LogP ≤ 59.79
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite?
The IUPAC name of disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite (CID 157373852) is disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite.
What is the SMILES notation for disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite?
The canonical SMILES for disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)cc(-c2cc4ccccc4[nH]c2=O)n3C(=O)OC(C)(C)C)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(C(=O)O)ccc21.CC(C)(C)OC(=O)n1c(-c2cc3ccccc3[nH]c2=O)cc2cc(C=O)ccc21.O=C(c1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)N1CCNCC1.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-].
What is the InChIKey of disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite?
The InChIKey is LAUIQMKXVUCAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O6.C23H20N2O5.C23H20N2O4.C22H20N4O2.C9H18N2O2.ClO2.2Na.HO4P.H/c1-31(2,3)41-29(39)35-15-13-34(14-16-35)28(38)21-11-12-25-22(17-21)19-26(36(25)30(40)42-32(4,5)6)23-18-20-9-7-8-10-24(20)33-27(23)37;1-23(2,3)30-22(29)25-18-9-8-14(21(27)28)10-15(18)12-19(25)16-11-13-6-4-5-7-17(13)24-20(16)26;1-23(2,3)29-22(28)25-19-9-8-14(13-26)10-16(19)12-20(25)17-11-15-6-4-5-7-18(15)24-21(17)27;27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26;1-9(2,3)13-8(12)11-6-4-10-5-7-11;2-1-3;;;1-4-5(2)3;/h7-12,17-19H,13-16H2,1-6H3,(H,33,37);4-12H,1-3H3,(H,24,26)(H,27,28);4-13H,1-3H3,(H,24,27);1-6,11-13,23-24H,7-10H2,(H,25,27);10H,4-7H2,1-3H3;;;;1H;/q;;;;;-1;2*+1;;-1.
What are the key properties of disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite?
disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite has a molecular weight of 2134.61 g/mol, XLogP of 9.79, 9 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;tert-butyl 5-formyl-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-1-carboxylate;tert-butyl piperazine-1-carboxylate;hydride;hydroperoxy-oxido-oxophosphanium;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-oxo-1H-quinolin-3-yl)indole-5-carboxylic acid;3-[5-(piperazine-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one;chlorite is sourced from PubChem (CID 157373852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).