2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid

C126H90ClF6N17O16 — CID 159954484

IUPAC2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid
SMILESCc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4c(Cl)cccc43)cc12.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4c(F)cccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4c(F)cccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4c(F)cccc43)nc2c1
InChIInChI=1S/C26H20ClN5O2.C26H17F2N3O3.C26H20FN3O4.C25H18FN3O4.C23H15F2N3O3/c1-14-18-12-15(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;27-16-7-9-22-15(11-16)13-23(34-22)24-25(30-20-12-14(26(32)33)6-8-19(20)29-24)31-10-2-3-17-18(28)4-1-5-21(17)31;27-18-4-1-5-21-17(18)3-2-10-30(21)25-24(15-7-9-22-23(14-15)34-12-11-33-22)28-19-8-6-16(26(31)32)13-20(19)29-25;26-17-4-1-5-20-16(17)3-2-10-29(20)24-23(14-7-9-21-22(12-14)33-13-32-21)27-18-8-6-15(25(30)31)11-19(18)28-24;24-15-4-1-13(2-5-15)21-22(27-18-11-14(23(29)30)3-7-17(18)26-21)28-9-10-31-20-12-16(25)6-8-19(20)28/h2,5-10,12-13H,3-4,11H2,1H3,(H,30,31)(H,33,34);1,4-9,11-13H,2-3,10H2,(H,32,33);1,4-9,13-14H,2-3,10-12H2,(H,31,32);1,4-9,11-12H,2-3,10,13H2,(H,30,31);1-8,11-12H,9-10H2,(H,29,30)
InChIKeyOCNONSCQACSIGC-UHFFFAOYSA-N
MW2247.65 g/mol
LogP26.76
Rot. Bonds15

About 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid

2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid (PubChem CID 159954484) has the molecular formula C126H90ClF6N17O16 and a molecular weight of 2247.65 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid
PubChem CID159954484
Molecular FormulaC126H90ClF6N17O16
Molecular Weight2247.65 g/mol
Exact Mass2245.63
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid
SMILESCc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4c(Cl)cccc43)cc12.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4c(F)cccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4c(F)cccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4c(F)cccc43)nc2c1
InChIInChI=1S/C26H20ClN5O2.C26H17F2N3O3.C26H20FN3O4.C25H18FN3O4.C23H15F2N3O3/c1-14-18-12-15(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;27-16-7-9-22-15(11-16)13-23(34-22)24-25(30-20-12-14(26(32)33)6-8-19(20)29-24)31-10-2-3-17-18(28)4-1-5-21(17)31;27-18-4-1-5-21-17(18)3-2-10-30(21)25-24(15-7-9-22-23(14-15)34-12-11-33-22)28-19-8-6-16(26(31)32)13-20(19)29-25;26-17-4-1-5-20-16(17)3-2-10-29(20)24-23(14-7-9-21-22(12-14)33-13-32-21)27-18-8-6-15(25(30)31)11-19(18)28-24;24-15-4-1-13(2-5-15)21-22(27-18-11-14(23(29)30)3-7-17(18)26-21)28-9-10-31-20-12-16(25)6-8-19(20)28/h2,5-10,12-13H,3-4,11H2,1H3,(H,30,31)(H,33,34);1,4-9,11-13H,2-3,10H2,(H,32,33);1,4-9,13-14H,2-3,10-12H2,(H,31,32);1,4-9,11-12H,2-3,10,13H2,(H,30,31);1-8,11-12H,9-10H2,(H,29,30)
InChIKeyOCNONSCQACSIGC-UHFFFAOYSA-N
XLogP26.76
TPSA419.57 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002247.65
LogP ≤ 526.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid with MolForge

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Related Compounds

2-(1-benzofuran-2-yl)-3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 157353701
2-(5-chloro-1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-chloro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 157963210
2-(1-benzofuran-2-yl)-3-[7-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(3-methyl-2H-indazol-5-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 158594663
2-(1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indol-2-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid
CID 160565423
2-(1-benzofuran-2-yl)-3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(1-benzofuran-2-yl)-3-[7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2-difluoro-1,3-benzodioxol-5-yl)quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
CID 161629501
3-[6-[2-[6-carboxy-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxalin-2-yl]-5-chloro-1-benzofuran-7-yl]-3,4-dihydro-2H-quinolin-1-yl]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
CID 144413471
2-(5-chloro-1-benzofuran-2-yl)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid;3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenylquinoxaline-6-carboxylic acid
CID 158965190
2-(1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid
CID 161500265

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid (CID 159954484) is 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid is Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N3CCCc4c(Cl)cccc43)cc12.O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCc4c(F)cccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCOc4cc(F)ccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCCO4)c(N3CCCc4c(F)cccc43)nc2c1.O=C(O)c1ccc2nc(-c3ccc4c(c3)OCO4)c(N3CCCc4c(F)cccc43)nc2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid?
The InChIKey is OCNONSCQACSIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN5O2.C26H17F2N3O3.C26H20FN3O4.C25H18FN3O4.C23H15F2N3O3/c1-14-18-12-15(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;27-16-7-9-22-15(11-16)13-23(34-22)24-25(30-20-12-14(26(32)33)6-8-19(20)29-24)31-10-2-3-17-18(28)4-1-5-21(17)31;27-18-4-1-5-21-17(18)3-2-10-30(21)25-24(15-7-9-22-23(14-15)34-12-11-33-22)28-19-8-6-16(26(31)32)13-20(19)29-25;26-17-4-1-5-20-16(17)3-2-10-29(20)24-23(14-7-9-21-22(12-14)33-13-32-21)27-18-8-6-15(25(30)31)11-19(18)28-24;24-15-4-1-13(2-5-15)21-22(27-18-11-14(23(29)30)3-7-17(18)26-21)28-9-10-31-20-12-16(25)6-8-19(20)28/h2,5-10,12-13H,3-4,11H2,1H3,(H,30,31)(H,33,34);1,4-9,11-13H,2-3,10H2,(H,32,33);1,4-9,13-14H,2-3,10-12H2,(H,31,32);1,4-9,11-12H,2-3,10,13H2,(H,30,31);1-8,11-12H,9-10H2,(H,29,30).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid?
2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid has a molecular weight of 2247.65 g/mol, XLogP of 26.76, 15 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(5-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methyl-2H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)quinoxaline-6-carboxylic acid;3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 159954484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).