2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid

C81H86BrF2N11O10 — CID 161200117

About 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid

2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 161200117) has the molecular formula C81H86BrF2N11O10 and a molecular weight of 1491.55 g/mol. Its IUPAC name is 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid
• PubChem CID: 161200117
• Molecular Formula: C81H86BrF2N11O10
• Molecular Weight: 1491.55 g/mol
• Exact Mass: 1489.57
• IUPAC Name: 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid
• SMILES: Brc1ccc2ccccc2n1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@@H]1CCN(c2ccc3ccccc3n2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@H]1CCN(c2ccc3ccccc3n2)C1.O=C(O)C1CCN(c2ccc3ccccc3n2)C1
• InChI: InChI=1S/2C29H33FN4O4.C14H14N2O2.C9H6BrN/c2*30-22-15-21(16-25-28(22)38-14-13-37-25)27(35)24(18-33-10-3-4-11-33)32-29(36)20-9-12-34(17-20)26-8-7-19-5-1-2-6-23(19)31-26;17-14(18)11-7-8-16(9-11)13-6-5-10-3-1-2-4-12(10)15-13;10-9-6-5-7-3-1-2-4-8(7)11-9/h2*1-2,5-8,15-16,20,24,27,35H,3-4,9-14,17-18H2,(H,32,36);1-6,11H,7-9H2,(H,17,18);1-6H/t20-,24+,27+;20-,24-,27-;;/m01../s1
• InChIKey: UUWBOSGPYMUCJB-WKEJHKOJSA-N
• XLogP: 11.71
• TPSA: 240.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.55
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid?

The IUPAC name of 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid (CID 161200117) is 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid.

What is the SMILES notation for 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid?

The canonical SMILES for 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid is Brc1ccc2ccccc2n1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@@H]1CCN(c2ccc3ccccc3n2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1cc(F)c2c(c1)OCCO2)[C@H]1CCN(c2ccc3ccccc3n2)C1.O=C(O)C1CCN(c2ccc3ccccc3n2)C1.

What is the InChIKey of 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid?

The InChIKey is UUWBOSGPYMUCJB-WKEJHKOJSA-N. The full InChI is InChI=1S/2C29H33FN4O4.C14H14N2O2.C9H6BrN/c2*30-22-15-21(16-25-28(22)38-14-13-37-25)27(35)24(18-33-10-3-4-11-33)32-29(36)20-9-12-34(17-20)26-8-7-19-5-1-2-6-23(19)31-26;17-14(18)11-7-8-16(9-11)13-6-5-10-3-1-2-4-12(10)15-13;10-9-6-5-7-3-1-2-4-8(7)11-9/h2*1-2,5-8,15-16,20,24,27,35H,3-4,9-14,17-18H2,(H,32,36);1-6,11H,7-9H2,(H,17,18);1-6H/t20-,24+,27+;20-,24-,27-;;/m01../s1.

What are the key properties of 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid?

2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 1491.55 g/mol, XLogP of 11.71, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoquinoline;(3R)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinolin-2-ylpyrrolidine-3-carboxamide;1-quinolin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 161200117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).