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

C73H93BBr2ClN7O14 — CID 159913357

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

4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate (PubChem CID 159913357) has the molecular formula C73H93BBr2ClN7O14 and a molecular weight of 1498.65 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate.

Molecular Properties

• Compound Name: 4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate
• PubChem CID: 159913357
• Molecular Formula: C73H93BBr2ClN7O14
• Molecular Weight: 1498.65 g/mol
• Exact Mass: 1495.49
• IUPAC Name: 4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)C(Br)=CC2.COC(=O)c1ccc2c(c1)c(Br)cn2CCN1CCOCC1.COC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.ClCCN1CCOCC1.O=C(O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.OB(O)C1CC1
• InChI: InChI=1S/C19H24N2O3.C18H22N2O3.C16H19BrN2O3.C11H9BrO2.C6H12ClNO.C3H7BO2/c1-23-19(22)15-4-5-18-16(12-15)17(14-2-3-14)13-21(18)7-6-20-8-10-24-11-9-20;21-18(22)14-3-4-17-15(11-14)16(13-1-2-13)12-20(17)6-5-19-7-9-23-10-8-19;1-21-16(20)12-2-3-15-13(10-12)14(17)11-19(15)5-4-18-6-8-22-9-7-18;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8;7-1-2-8-3-5-9-6-4-8;5-4(6)3-1-2-3/h4-5,12-14H,2-3,6-11H2,1H3;3-4,11-13H,1-2,5-10H2,(H,21,22);2-3,10-11H,4-9H2,1H3;2-3,5-6H,4H2,1H3;1-6H2;3,5-6H,1-2H2
• InChIKey: NXLRFIGHTOJIGG-UHFFFAOYSA-N
• XLogP: 10.65
• TPSA: 221.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1498.65
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate (CID 159913357) is 4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate.

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

The canonical SMILES for 4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate is COC(=O)c1ccc2c(c1)C(Br)=CC2.COC(=O)c1ccc2c(c1)c(Br)cn2CCN1CCOCC1.COC(=O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.ClCCN1CCOCC1.O=C(O)c1ccc2c(c1)c(C1CC1)cn2CCN1CCOCC1.OB(O)C1CC1.

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

The InChIKey is NXLRFIGHTOJIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3.C18H22N2O3.C16H19BrN2O3.C11H9BrO2.C6H12ClNO.C3H7BO2/c1-23-19(22)15-4-5-18-16(12-15)17(14-2-3-14)13-21(18)7-6-20-8-10-24-11-9-20;21-18(22)14-3-4-17-15(11-14)16(13-1-2-13)12-20(17)6-5-19-7-9-23-10-8-19;1-21-16(20)12-2-3-15-13(10-12)14(17)11-19(15)5-4-18-6-8-22-9-7-18;1-14-11(13)8-3-2-7-4-5-10(12)9(7)6-8;7-1-2-8-3-5-9-6-4-8;5-4(6)3-1-2-3/h4-5,12-14H,2-3,6-11H2,1H3;3-4,11-13H,1-2,5-10H2,(H,21,22);2-3,10-11H,4-9H2,1H3;2-3,5-6H,4H2,1H3;1-6H2;3,5-6H,1-2H2.

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

4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate has a molecular weight of 1498.65 g/mol, XLogP of 10.65, 18 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloroethyl)morpholine;cyclopropylboronic acid;3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylic acid;methyl 3-bromo-1H-indene-5-carboxylate;methyl 3-bromo-1-(2-morpholin-4-ylethyl)indole-5-carboxylate;methyl 3-cyclopropyl-1-(2-morpholin-4-ylethyl)indole-5-carboxylate is sourced from PubChem (CID 159913357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).