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

C105H117BrN20O14 — CID 162159984

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

6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid (PubChem CID 162159984) has the molecular formula C105H117BrN20O14 and a molecular weight of 1963.12 g/mol. Its IUPAC name is 6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid
• PubChem CID: 162159984
• Molecular Formula: C105H117BrN20O14
• Molecular Weight: 1963.12 g/mol
• Exact Mass: 1960.82
• IUPAC Name: 6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid
• SMILES: Brc1ccc2nccnc2c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc3nccnc3c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc3nccnc3c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc3nccnc3c2)C1.O=C(O)C1CCN(c2ccc3nccnc3c2)C1
• InChI: InChI=1S/3C28H33N5O4.C13H13N3O2.C8H5BrN2/c3*34-27(19-3-6-25-26(15-19)37-14-13-36-25)24(18-32-10-1-2-11-32)31-28(35)20-7-12-33(17-20)21-4-5-22-23(16-21)30-9-8-29-22;17-13(18)9-3-6-16(8-9)10-1-2-11-12(7-10)15-5-4-14-11;9-6-1-2-7-8(5-6)11-4-3-10-7/h3*3-6,8-9,15-16,20,24,27,34H,1-2,7,10-14,17-18H2,(H,31,35);1-2,4-5,7,9H,3,6,8H2,(H,17,18);1-5H/t20?,24-,27-;20-,24+,27+;20-,24-,27-;;/m101../s1
• InChIKey: ZMIPCIQAQJDVTL-HRKJPGNESA-N
• XLogP: 11.56
• TPSA: 392.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1963.12
LogP ≤ 5	11.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid (CID 162159984) is 6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid.

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

The canonical SMILES for 6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid is Brc1ccc2nccnc2c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)C1CCN(c2ccc3nccnc3c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@@H]1CCN(c2ccc3nccnc3c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2)[C@H]1CCN(c2ccc3nccnc3c2)C1.O=C(O)C1CCN(c2ccc3nccnc3c2)C1.

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

The InChIKey is ZMIPCIQAQJDVTL-HRKJPGNESA-N. The full InChI is InChI=1S/3C28H33N5O4.C13H13N3O2.C8H5BrN2/c3*34-27(19-3-6-25-26(15-19)37-14-13-36-25)24(18-32-10-1-2-11-32)31-28(35)20-7-12-33(17-20)21-4-5-22-23(16-21)30-9-8-29-22;17-13(18)9-3-6-16(8-9)10-1-2-11-12(7-10)15-5-4-14-11;9-6-1-2-7-8(5-6)11-4-3-10-7/h3*3-6,8-9,15-16,20,24,27,34H,1-2,7,10-14,17-18H2,(H,31,35);1-2,4-5,7,9H,3,6,8H2,(H,17,18);1-5H/t20?,24-,27-;20-,24+,27+;20-,24-,27-;;/m101../s1.

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

6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid has a molecular weight of 1963.12 g/mol, XLogP of 11.56, 23 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoquinoxaline;N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3R)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-quinoxalin-6-ylpyrrolidine-3-carboxamide;1-quinoxalin-6-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 162159984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).