4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate

C82H98Br2ClN7O15 — CID 158237263

About 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate

4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate (PubChem CID 158237263) has the molecular formula C82H98Br2ClN7O15 and a molecular weight of 1616.98 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate.

Molecular Properties

• Compound Name: 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate
• PubChem CID: 158237263
• Molecular Formula: C82H98Br2ClN7O15
• Molecular Weight: 1616.98 g/mol
• Exact Mass: 1613.52
• IUPAC Name: 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate
• SMILES: CCOC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.COC(=O)c1ccc2c(c1)C=C(Br)C2.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)cc(Br)n2CCN1CCOCC1.ClCCN1CCOCC1.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1
• InChI: InChI=1S/C20H26N2O3.C18H22N2O3.C16H19BrN2O3.C11H9BrO2.C11H10O3.C6H12ClNO/c1-2-25-20(23)16-5-6-18-17(13-16)14-19(15-3-4-15)22(18)8-7-21-9-11-24-12-10-21;21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19;1-21-16(20)12-2-3-14-13(10-12)11-15(17)19(14)5-4-18-6-8-22-9-7-18;2*1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8;7-1-2-8-3-5-9-6-4-8/h5-6,13-15H,2-4,7-12H2,1H3;3-4,11-13H,1-2,5-10H2,(H,21,22);2-3,10-11H,4-9H2,1H3;2-4,6H,5H2,1H3;2-4H,5-6H2,1H3;1-6H2
• InChIKey: GFCQIDWXCNRNIU-UHFFFAOYSA-N
• XLogP: 12.56
• TPSA: 224.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1616.98
LogP ≤ 5	12.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The IUPAC name of 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate (CID 158237263) is 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate.

What is the SMILES notation for 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The canonical SMILES for 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate is CCOC(=O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.COC(=O)c1ccc2c(c1)C=C(Br)C2.COC(=O)c1ccc2c(c1)CC(=O)C2.COC(=O)c1ccc2c(c1)cc(Br)n2CCN1CCOCC1.ClCCN1CCOCC1.O=C(O)c1ccc2c(c1)cc(C1CC1)n2CCN1CCOCC1.

What is the InChIKey of 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

The InChIKey is GFCQIDWXCNRNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.C18H22N2O3.C16H19BrN2O3.C11H9BrO2.C11H10O3.C6H12ClNO/c1-2-25-20(23)16-5-6-18-17(13-16)14-19(15-3-4-15)22(18)8-7-21-9-11-24-12-10-21;21-18(22)14-3-4-16-15(11-14)12-17(13-1-2-13)20(16)6-5-19-7-9-23-10-8-19;1-21-16(20)12-2-3-14-13(10-12)11-15(17)19(14)5-4-18-6-8-22-9-7-18;2*1-14-11(13)8-3-2-7-5-10(12)6-9(7)4-8;7-1-2-8-3-5-9-6-4-8/h5-6,13-15H,2-4,7-12H2,1H3;3-4,11-13H,1-2,5-10H2,(H,21,22);2-3,10-11H,4-9H2,1H3;2-4,6H,5H2,1H3;2-4H,5-6H2,1H3;1-6H2.

What are the key properties of 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate?

4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate has a molecular weight of 1616.98 g/mol, XLogP of 12.56, 19 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloroethyl)morpholine;2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-bromo-1H-indene-5-carboxylate;methyl 2-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 2-oxo-1,3-dihydroindene-5-carboxylate is sourced from PubChem (CID 158237263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).