2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid

C124H93Cl2F2N15O17 — CID 161038153

About 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid

2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (PubChem CID 161038153) has the molecular formula C124H93Cl2F2N15O17 and a molecular weight of 2174.10 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
• PubChem CID: 161038153
• Molecular Formula: C124H93Cl2F2N15O17
• Molecular Weight: 2174.10 g/mol
• Exact Mass: 2171.62
• IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
• SMILES: COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4cc(F)ccc43)nc2c1
• InChI: InChI=1S/C26H21N3O5.C25H18ClN3O4.C25H18FN3O4.C24H18ClN3O2.C24H18FN3O2/c1-32-18-6-8-21-15(11-18)3-2-10-29(21)25-24(16-5-9-22-23(13-16)34-14-33-22)27-19-7-4-17(26(30)31)12-20(19)28-25;2*26-17-5-7-20-14(10-17)2-1-9-29(20)24-23(15-4-8-21-22(12-15)33-13-32-21)27-18-6-3-16(25(30)31)11-19(18)28-24;2*25-18-9-11-21-16(13-18)7-4-12-28(21)23-22(15-5-2-1-3-6-15)26-19-10-8-17(24(29)30)14-20(19)27-23/h4-9,11-13H,2-3,10,14H2,1H3,(H,30,31);2*3-8,10-12H,1-2,9,13H2,(H,30,31);2*1-3,5-6,8-11,13-14H,4,7,12H2,(H,29,30)
• InChIKey: UANGMLURTKHQPG-UHFFFAOYSA-N
• XLogP: 26.18
• TPSA: 396.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2174.10
LogP ≤ 5	26.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid (CID 161038153) is 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid.

What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is COc1ccc2c(c1)CCCN2c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCO2.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4cc(Cl)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCc4cc(F)ccc43)nc2c1.

What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

The InChIKey is UANGMLURTKHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5.C25H18ClN3O4.C25H18FN3O4.C24H18ClN3O2.C24H18FN3O2/c1-32-18-6-8-21-15(11-18)3-2-10-29(21)25-24(16-5-9-22-23(13-16)34-14-33-22)27-19-7-4-17(26(30)31)12-20(19)28-25;2*26-17-5-7-20-14(10-17)2-1-9-29(20)24-23(15-4-8-21-22(12-15)33-13-32-21)27-18-6-3-16(25(30)31)11-19(18)28-24;2*25-18-9-11-21-16(13-18)7-4-12-28(21)23-22(15-5-2-1-3-6-15)26-19-10-8-17(24(29)30)14-20(19)27-23/h4-9,11-13H,2-3,10,14H2,1H3,(H,30,31);2*3-8,10-12H,1-2,9,13H2,(H,30,31);2*1-3,5-6,8-11,13-14H,4,7,12H2,(H,29,30).

What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid?

2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid has a molecular weight of 2174.10 g/mol, XLogP of 26.18, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzodioxol-5-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 161038153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).