2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid

C158H149N33O19S2 — CID 158158862

IUPAC2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccno1.CCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.CCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1)C(C)C.C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2s1.C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2s1.C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccno1.O=C(O)c1ccc2nc(-c3ccno3)c(N3CCCC3)nc2c1
InChIInChI=1S/C23H21N3O2S.C22H21N5O2.C22H19N3O2S.2C21H21N5O2.C17H16N4O3.C16H14N4O3.C16H16N4O3/c1-14-6-4-5-11-26(14)22-21(20-13-15-7-2-3-8-19(15)29-20)24-17-10-9-16(23(27)28)12-18(17)25-22;1-13-4-2-3-9-27(13)21-20(14-5-7-17-16(10-14)12-23-26-17)24-18-8-6-15(22(28)29)11-19(18)25-21;1-13-5-4-10-25(13)21-20(19-12-14-6-2-3-7-18(14)28-19)23-16-9-8-15(22(26)27)11-17(16)24-21;1-4-12(2)26(3)20-19(13-5-7-16-15(9-13)11-22-25-16)23-17-8-6-14(21(27)28)10-18(17)24-20;1-4-26(12(2)3)20-19(13-5-7-16-15(9-13)11-22-25-16)23-17-8-6-14(21(27)28)10-18(17)24-20;1-10-3-2-8-21(10)16-15(14-6-7-18-24-14)19-12-5-4-11(17(22)23)9-13(12)20-16;21-16(22)10-3-4-11-12(9-10)19-15(20-7-1-2-8-20)14(18-11)13-5-6-17-23-13;1-9(2)20(3)15-14(13-6-7-17-23-13)18-11-5-4-10(16(21)22)8-12(11)19-15/h2-3,7-10,12-14H,4-6,11H2,1H3,(H,27,28);5-8,10-13H,2-4,9H2,1H3,(H,23,26)(H,28,29);2-3,6-9,11-13H,4-5,10H2,1H3,(H,26,27);2*5-12H,4H2,1-3H3,(H,22,25)(H,27,28);4-7,9-10H,2-3,8H2,1H3,(H,22,23);3-6,9H,1-2,7-8H2,(H,21,22);4-9H,1-3H3,(H,21,22)/t14-;2*13-;;;10-;;/m000..0../s1
InChIKeyFWAFNAPKGSXGEI-PMNPBTCZSA-N
MW2878.28 g/mol
LogP31.63
Rot. Bonds29

About 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid

2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid (PubChem CID 158158862) has the molecular formula C158H149N33O19S2 and a molecular weight of 2878.28 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid
PubChem CID158158862
Molecular FormulaC158H149N33O19S2
Molecular Weight2878.28 g/mol
Exact Mass2876.11
IUPAC Name2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid
SMILESCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccno1.CCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.CCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1)C(C)C.C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2s1.C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2s1.C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccno1.O=C(O)c1ccc2nc(-c3ccno3)c(N3CCCC3)nc2c1
InChIInChI=1S/C23H21N3O2S.C22H21N5O2.C22H19N3O2S.2C21H21N5O2.C17H16N4O3.C16H14N4O3.C16H16N4O3/c1-14-6-4-5-11-26(14)22-21(20-13-15-7-2-3-8-19(15)29-20)24-17-10-9-16(23(27)28)12-18(17)25-22;1-13-4-2-3-9-27(13)21-20(14-5-7-17-16(10-14)12-23-26-17)24-18-8-6-15(22(28)29)11-19(18)25-21;1-13-5-4-10-25(13)21-20(19-12-14-6-2-3-7-18(14)28-19)23-16-9-8-15(22(26)27)11-17(16)24-21;1-4-12(2)26(3)20-19(13-5-7-16-15(9-13)11-22-25-16)23-17-8-6-14(21(27)28)10-18(17)24-20;1-4-26(12(2)3)20-19(13-5-7-16-15(9-13)11-22-25-16)23-17-8-6-14(21(27)28)10-18(17)24-20;1-10-3-2-8-21(10)16-15(14-6-7-18-24-14)19-12-5-4-11(17(22)23)9-13(12)20-16;21-16(22)10-3-4-11-12(9-10)19-15(20-7-1-2-8-20)14(18-11)13-5-6-17-23-13;1-9(2)20(3)15-14(13-6-7-17-23-13)18-11-5-4-10(16(21)22)8-12(11)19-15/h2-3,7-10,12-14H,4-6,11H2,1H3,(H,27,28);5-8,10-13H,2-4,9H2,1H3,(H,23,26)(H,28,29);2-3,6-9,11-13H,4-5,10H2,1H3,(H,26,27);2*5-12H,4H2,1-3H3,(H,22,25)(H,27,28);4-7,9-10H,2-3,8H2,1H3,(H,22,23);3-6,9H,1-2,7-8H2,(H,21,22);4-9H,1-3H3,(H,21,22)/t14-;2*13-;;;10-;;/m000..0../s1
InChIKeyFWAFNAPKGSXGEI-PMNPBTCZSA-N
XLogP31.63
TPSA694.69 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds29
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002878.28
LogP ≤ 531.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)acetate;2-(1,2-benzoxazol-3-yl)acetate;2,3-dihydro-1H-indole-2-carboxylate;1H-indole-2-carboxylate;1H-indole-3-carboxylate;1H-indole-4-carboxylate;1H-indole-7-carboxylate;isoquinoline-1-carboxylate;bis(6-methyl-1H-benzimidazole);5-methyl-2H-benzotriazole;1-methylindazole-3-carboxylate;6-methyl-1H-indazole-3-carboxylate;5-methyl-1H-indole;6-methyl-1H-indole;6-methylquinoline;quinoline-2-carboxylate;quinoline-3-carboxylate;quinoline-4-carboxylate;quinoline-5-carboxylate;quinoxaline-2-carboxylate;1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 157652726
CID 157886358
CID 157886358
2-(1H-benzimidazol-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(3H-benzimidazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(3H-benzimidazol-5-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;2-(3H-benzimidazol-5-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;2-(1,3-benzothiazol-5-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;2-(1H-imidazol-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(1H-imidazol-2-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid
CID 158440052
5-tert-butyl-1,2-oxazole-3-carboxylic acid;5-tert-butyl-1H-pyrazole-3-carboxylic acid;6-tert-butylpyridine-3-carboxylic acid;5-tert-butylpyrimidine-2-carboxylic acid;3-tert-butylquinoline-4-carboxylic acid;4-tert-butylthiophene-2-carboxylic acid;5-tert-butylthiophene-2-carboxylic acid;2-(4-tert-butyltriazol-1-yl)acetic acid
CID 159854576

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid (CID 158158862) is 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid is CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccno1.CCC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.CCN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1)C(C)C.C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2s1.C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc2[nH]ncc2c1.C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2s1.C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccno1.O=C(O)c1ccc2nc(-c3ccno3)c(N3CCCC3)nc2c1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid?
The InChIKey is FWAFNAPKGSXGEI-PMNPBTCZSA-N. The full InChI is InChI=1S/C23H21N3O2S.C22H21N5O2.C22H19N3O2S.2C21H21N5O2.C17H16N4O3.C16H14N4O3.C16H16N4O3/c1-14-6-4-5-11-26(14)22-21(20-13-15-7-2-3-8-19(15)29-20)24-17-10-9-16(23(27)28)12-18(17)25-22;1-13-4-2-3-9-27(13)21-20(14-5-7-17-16(10-14)12-23-26-17)24-18-8-6-15(22(28)29)11-19(18)25-21;1-13-5-4-10-25(13)21-20(19-12-14-6-2-3-7-18(14)28-19)23-16-9-8-15(22(26)27)11-17(16)24-21;1-4-12(2)26(3)20-19(13-5-7-16-15(9-13)11-22-25-16)23-17-8-6-14(21(27)28)10-18(17)24-20;1-4-26(12(2)3)20-19(13-5-7-16-15(9-13)11-22-25-16)23-17-8-6-14(21(27)28)10-18(17)24-20;1-10-3-2-8-21(10)16-15(14-6-7-18-24-14)19-12-5-4-11(17(22)23)9-13(12)20-16;21-16(22)10-3-4-11-12(9-10)19-15(20-7-1-2-8-20)14(18-11)13-5-6-17-23-13;1-9(2)20(3)15-14(13-6-7-17-23-13)18-11-5-4-10(16(21)22)8-12(11)19-15/h2-3,7-10,12-14H,4-6,11H2,1H3,(H,27,28);5-8,10-13H,2-4,9H2,1H3,(H,23,26)(H,28,29);2-3,6-9,11-13H,4-5,10H2,1H3,(H,26,27);2*5-12H,4H2,1-3H3,(H,22,25)(H,27,28);4-7,9-10H,2-3,8H2,1H3,(H,22,23);3-6,9H,1-2,7-8H2,(H,21,22);4-9H,1-3H3,(H,21,22)/t14-;2*13-;;;10-;;/m000..0../s1.
What are the key properties of 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid?
2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid has a molecular weight of 2878.28 g/mol, XLogP of 31.63, 29 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;2-(1-benzothiophen-2-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;3-[butan-2-yl(methyl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;3-[ethyl(propan-2-yl)amino]-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid;2-(1H-indazol-5-yl)-3-[(2S)-2-methylpiperidin-1-yl]quinoxaline-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;3-[(2S)-2-methylpyrrolidin-1-yl]-2-(1,2-oxazol-5-yl)quinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-pyrrolidin-1-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 158158862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).