1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline

C110H117Cl6N15O14 — CID 159610146

About 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline

1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline (PubChem CID 159610146) has the molecular formula C110H117Cl6N15O14 and a molecular weight of 2085.95 g/mol. Its IUPAC name is 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline.

Molecular Properties

• Compound Name: 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline
• PubChem CID: 159610146
• Molecular Formula: C110H117Cl6N15O14
• Molecular Weight: 2085.95 g/mol
• Exact Mass: 2081.70
• IUPAC Name: 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline
• SMILES: Clc1ccc2nc(Cl)ccc2c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc3cc(Cl)ccc3n2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1.O=C(O)C1CCN(c2ccc3cc(Cl)ccc3n2)C1
• InChI: InChI=1S/3C29H33ClN4O4.C14H13ClN2O2.C9H5Cl2N/c3*30-22-5-6-23-19(15-22)4-8-27(31-23)34-12-9-21(17-34)29(36)32-24(18-33-10-1-2-11-33)28(35)20-3-7-25-26(16-20)38-14-13-37-25;15-11-2-3-12-9(7-11)1-4-13(16-12)17-6-5-10(8-17)14(18)19;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h3*3-8,15-16,21,24,28,35H,1-2,9-14,17-18H2,(H,32,36);1-4,7,10H,5-6,8H2,(H,18,19);1-5H/t21?,24-,28-;21-,24+,28+;21-,24-,28-;;/m101../s1
• InChIKey: MMOYVQVPOHPYQC-JMFABEFISA-N
• XLogP: 17.74
• TPSA: 327.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.95
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline?

The IUPAC name of 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline (CID 159610146) is 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline.

What is the SMILES notation for 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline?

The canonical SMILES for 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline is Clc1ccc2nc(Cl)ccc2c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc3cc(Cl)ccc3n2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1.O=C(O)C1CCN(c2ccc3cc(Cl)ccc3n2)C1.

What is the InChIKey of 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline?

The InChIKey is MMOYVQVPOHPYQC-JMFABEFISA-N. The full InChI is InChI=1S/3C29H33ClN4O4.C14H13ClN2O2.C9H5Cl2N/c3*30-22-5-6-23-19(15-22)4-8-27(31-23)34-12-9-21(17-34)29(36)32-24(18-33-10-1-2-11-33)28(35)20-3-7-25-26(16-20)38-14-13-37-25;15-11-2-3-12-9(7-11)1-4-13(16-12)17-6-5-10(8-17)14(18)19;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h3*3-8,15-16,21,24,28,35H,1-2,9-14,17-18H2,(H,32,36);1-4,7,10H,5-6,8H2,(H,18,19);1-5H/t21?,24-,28-;21-,24+,28+;21-,24-,28-;;/m101../s1.

What are the key properties of 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline?

1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline has a molecular weight of 2085.95 g/mol, XLogP of 17.74, 23 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(6-chloroquinolin-2-yl)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid;2,6-dichloroquinoline is sourced from PubChem (CID 159610146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).