1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C79H93N17O9 — CID 158560067

About 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 158560067) has the molecular formula C79H93N17O9 and a molecular weight of 1424.72 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
• PubChem CID: 158560067
• Molecular Formula: C79H93N17O9
• Molecular Weight: 1424.72 g/mol
• Exact Mass: 1423.73
• IUPAC Name: 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
• SMILES: COCC(O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CC2(O)CCNCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C[C@H](C)C[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H36N6O2.C26H30N6O3.C24H27N5O4/c1-20-10-21(2)18-34(17-20)8-9-35(24-11-25(36-4)14-26(12-24)37-5)23-6-7-27-28(13-23)32-29(16-30-27)22-15-31-33(3)19-22;1-31-16-18(14-29-31)25-15-28-23-5-4-19(12-24(23)30-25)32(17-26(33)6-8-27-9-7-26)20-10-21(34-2)13-22(11-20)35-3;1-28-13-16(11-26-28)24-12-25-22-6-5-17(9-23(22)27-24)29(14-19(30)15-31-2)18-7-20(32-3)10-21(8-18)33-4/h6-7,11-16,19-21H,8-10,17-18H2,1-5H3;4-5,10-16,27,33H,6-9,17H2,1-3H3;5-13,19,30H,14-15H2,1-4H3/t20-,21-;;/m1../s1
• InChIKey: HQTQWIPGOYIOHD-OXIQQVKJSA-N
• XLogP: 11.66
• TPSA: 260.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1424.72
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The IUPAC name of 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 158560067) is 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

What is the SMILES notation for 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The canonical SMILES for 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COCC(O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CC2(O)CCNCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2C[C@H](C)C[C@@H](C)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

The InChIKey is HQTQWIPGOYIOHD-OXIQQVKJSA-N. The full InChI is InChI=1S/C29H36N6O2.C26H30N6O3.C24H27N5O4/c1-20-10-21(2)18-34(17-20)8-9-35(24-11-25(36-4)14-26(12-24)37-5)23-6-7-27-28(13-23)32-29(16-30-27)22-15-31-33(3)19-22;1-31-16-18(14-29-31)25-15-28-23-5-4-19(12-24(23)30-25)32(17-26(33)6-8-27-9-7-26)20-10-21(34-2)13-22(11-20)35-3;1-28-13-16(11-26-28)24-12-25-22-6-5-17(9-23(22)27-24)29(14-19(30)15-31-2)18-7-20(32-3)10-21(8-18)33-4/h6-7,11-16,19-21H,8-10,17-18H2,1-5H3;4-5,10-16,27,33H,6-9,17H2,1-3H3;5-13,19,30H,14-15H2,1-4H3/t20-,21-;;/m1../s1.

What are the key properties of 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?

1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 1424.72 g/mol, XLogP of 11.66, 24 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-3-methoxypropan-2-ol;4-[(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)methyl]piperidin-4-ol;N-(3,5-dimethoxyphenyl)-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 158560067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).