3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid

C130H99ClF5N25O11 — CID 159820986

About 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid

3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid (PubChem CID 159820986) has the molecular formula C130H99ClF5N25O11 and a molecular weight of 2317.83 g/mol. Its IUPAC name is 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid
• PubChem CID: 159820986
• Molecular Formula: C130H99ClF5N25O11
• Molecular Weight: 2317.83 g/mol
• Exact Mass: 2315.76
• IUPAC Name: 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid
• SMILES: Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4c(F)cccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(Cl)ccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(OC(F)F)ccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4ccc(F)cc43)cc12.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4c(F)cccc43)nc2c1
• InChI: InChI=1S/C27H21F2N5O3.C26H20ClN5O2.2C26H20FN5O2.C25H18FN5O2/c1-14-19-12-16(4-7-20(19)33-32-14)24-25(31-22-13-17(26(35)36)5-8-21(22)30-24)34-10-2-3-15-11-18(37-27(28)29)6-9-23(15)34;1-14-19-12-16(4-7-20(19)31-30-14)24-25(29-22-13-17(26(33)34)5-8-21(22)28-24)32-10-2-3-15-11-18(27)6-9-23(15)32;1-14-18-12-15(7-9-20(18)31-30-14)24-25(29-22-13-16(26(33)34)8-10-21(22)28-24)32-11-3-4-17-19(27)5-2-6-23(17)32;1-14-19-11-16(5-8-20(19)31-30-14)24-25(29-22-12-17(26(33)34)6-9-21(22)28-24)32-10-2-3-15-4-7-18(27)13-23(15)32;26-18-4-1-5-22-17(18)3-2-10-31(22)24-23(14-6-8-19-16(11-14)13-27-30-19)28-20-9-7-15(25(32)33)12-21(20)29-24/h4-9,11-13,27H,2-3,10H2,1H3,(H,32,33)(H,35,36);4-9,11-13H,2-3,10H2,1H3,(H,30,31)(H,33,34);2,5-10,12-13H,3-4,11H2,1H3,(H,30,31)(H,33,34);4-9,11-13H,2-3,10H2,1H3,(H,30,31)(H,33,34);1,4-9,11-13H,2-3,10H2,(H,27,30)(H,32,33)
• InChIKey: NMFRVXMUTUKLAQ-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 484.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 17
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.83
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid?

The IUPAC name of 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid (CID 159820986) is 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid.

What is the SMILES notation for 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid?

The canonical SMILES for 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid is Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4c(F)cccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(Cl)ccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4cc(OC(F)F)ccc43)cc12.Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4ccc(F)cc43)cc12.O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCc4c(F)cccc43)nc2c1.

What is the InChIKey of 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid?

The InChIKey is NMFRVXMUTUKLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N5O3.C26H20ClN5O2.2C26H20FN5O2.C25H18FN5O2/c1-14-19-12-16(4-7-20(19)33-32-14)24-25(31-22-13-17(26(35)36)5-8-21(22)30-24)34-10-2-3-15-11-18(37-27(28)29)6-9-23(15)34;1-14-19-12-16(4-7-20(19)31-30-14)24-25(29-22-13-17(26(33)34)5-8-21(22)28-24)32-10-2-3-15-11-18(27)6-9-23(15)32;1-14-18-12-15(7-9-20(18)31-30-14)24-25(29-22-13-16(26(33)34)8-10-21(22)28-24)32-11-3-4-17-19(27)5-2-6-23(17)32;1-14-19-11-16(5-8-20(19)31-30-14)24-25(29-22-12-17(26(33)34)6-9-21(22)28-24)32-10-2-3-15-4-7-18(27)13-23(15)32;26-18-4-1-5-22-17(18)3-2-10-31(22)24-23(14-6-8-19-16(11-14)13-27-30-19)28-20-9-7-15(25(32)33)12-21(20)29-24/h4-9,11-13,27H,2-3,10H2,1H3,(H,32,33)(H,35,36);4-9,11-13H,2-3,10H2,1H3,(H,30,31)(H,33,34);2,5-10,12-13H,3-4,11H2,1H3,(H,30,31)(H,33,34);4-9,11-13H,2-3,10H2,1H3,(H,30,31)(H,33,34);1,4-9,11-13H,2-3,10H2,(H,27,30)(H,32,33).

What are the key properties of 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid?

3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid has a molecular weight of 2317.83 g/mol, XLogP of 27.68, 17 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 159820986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).