methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid

C74H83N7O17 — CID 157103865

IUPACmethyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1OC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1
InChIInChI=1S/C32H35N3O6.C16H20N2O4.C15H18N2O4.C11H10O3/c1-32(2,3)41-31(38)33-26-11-9-23(22-7-5-4-6-8-22)20-28(26)40-30(37)24-10-12-27-25(19-24)21-29(36)35(27)14-13-34-15-17-39-18-16-34;1-21-16(20)12-2-3-14-13(10-12)11-15(19)18(14)5-4-17-6-8-22-9-7-17;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16;1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h4-12,19-20H,13-18,21H2,1-3H3,(H,33,38);2-3,10H,4-9,11H2,1H3;1-2,9H,3-8,10H2,(H,19,20);2-4H,5-6H2,1H3
InChIKeyAGBPDGNUSYGHTR-UHFFFAOYSA-N
MW1342.51 g/mol
LogP7.58
Rot. Bonds16

About methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid

methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid (PubChem CID 157103865) has the molecular formula C74H83N7O17 and a molecular weight of 1342.51 g/mol. Its IUPAC name is methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Namemethyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
PubChem CID157103865
Molecular FormulaC74H83N7O17
Molecular Weight1342.51 g/mol
Exact Mass1341.58
IUPAC Namemethyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1OC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1
InChIInChI=1S/C32H35N3O6.C16H20N2O4.C15H18N2O4.C11H10O3/c1-32(2,3)41-31(38)33-26-11-9-23(22-7-5-4-6-8-22)20-28(26)40-30(37)24-10-12-27-25(19-24)21-29(36)35(27)14-13-34-15-17-39-18-16-34;1-21-16(20)12-2-3-14-13(10-12)11-15(19)18(14)5-4-17-6-8-22-9-7-17;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16;1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h4-12,19-20H,13-18,21H2,1-3H3,(H,33,38);2-3,10H,4-9,11H2,1H3;1-2,9H,3-8,10H2,(H,19,20);2-4H,5-6H2,1H3
InChIKeyAGBPDGNUSYGHTR-UHFFFAOYSA-N
XLogP7.58
TPSA269.94 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001342.51
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[[2-methoxy-4-[methyl-[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]carbamoyl]-2-(phenylmethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 18354806
Tert-butyl 4-[[2-methoxy-4-[methyl-[4-methyl-2-[5-(4-methylpiperazin-1-yl)-6-oxohex-5-enoxy]phenyl]carbamoyl]phenyl]carbamoyl]-2-(phenylmethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 88229174
Tert-butyl 2-(hydroxymethyl)-4-[[2-(methoxymethyl)-4-[[4-methyl-2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]phenyl]carbamoyl]phenyl]carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 91410351
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate
CID 134214914
3,3-dimethyl-5-propan-2-yl-1H-indol-2-one;5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1H-indene;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;7-propan-2-yl-2,4-dihydro-1H-isoquinolin-3-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 157184845
tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 159141514
5-propan-2-yl-3H-1-benzofuran-2-one;6-propan-2-yl-3H-1,3-benzoxazol-2-one;8-propan-2-yl-3,4-dihydro-2H-chromene;5-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one
CID 159699527
5-[2-(2-amino-5-phenylphenyl)acetyl]-1-(2-morpholin-4-ylethyl)-3H-indol-2-one;tert-butyl N-[2-[2-[1-(2-morpholin-4-ylethyl)-2-oxo-3H-indol-5-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 163692290

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
The IUPAC name of methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid (CID 157103865) is methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid.
What is the SMILES notation for methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
The canonical SMILES for methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1OC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.O=C(O)c1ccc2c(c1)CC(=O)N2CCN1CCOCC1.
What is the InChIKey of methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
The InChIKey is AGBPDGNUSYGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O6.C16H20N2O4.C15H18N2O4.C11H10O3/c1-32(2,3)41-31(38)33-26-11-9-23(22-7-5-4-6-8-22)20-28(26)40-30(37)24-10-12-27-25(19-24)21-29(36)35(27)14-13-34-15-17-39-18-16-34;1-21-16(20)12-2-3-14-13(10-12)11-15(19)18(14)5-4-17-6-8-22-9-7-17;18-14-10-12-9-11(15(19)20)1-2-13(12)17(14)4-3-16-5-7-21-8-6-16;1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8/h4-12,19-20H,13-18,21H2,1-3H3,(H,33,38);2-3,10H,4-9,11H2,1H3;1-2,9H,3-8,10H2,(H,19,20);2-4H,5-6H2,1H3.
What are the key properties of methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid?
methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid has a molecular weight of 1342.51 g/mol, XLogP of 7.58, 16 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate;[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl] 1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylate;1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxylic acid is sourced from PubChem (CID 157103865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).