N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine

C106H111F3N26O8 — CID 158018001

About N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine

N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (PubChem CID 158018001) has the molecular formula C106H111F3N26O8 and a molecular weight of 1934.22 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
• PubChem CID: 158018001
• Molecular Formula: C106H111F3N26O8
• Molecular Weight: 1934.22 g/mol
• Exact Mass: 1932.90
• IUPAC Name: N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine
• SMILES: CCN(C)Cc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(N(CCCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc(OC)c1C(O)C(F)(F)F.COc1cc(OC)cc(N(CC#Cc2ccc(N)cc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cnc(C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C29H26N6O2.C27H32N6O.C25H27F3N6O3.C25H26N8O2/c1-34-19-21(17-32-34)29-18-31-27-11-10-23(15-28(27)33-29)35(12-4-5-20-6-8-22(30)9-7-20)24-13-25(36-2)16-26(14-24)37-3;1-5-31(2)16-20-10-23(12-24(11-20)34-4)33(17-19-6-7-19)22-8-9-25-26(13-22)30-27(15-28-25)21-14-29-32(3)18-21;1-33-14-15(12-31-33)20-13-30-18-6-5-16(9-19(18)32-20)34(8-4-7-29)17-10-21(36-2)23(22(11-17)37-3)24(35)25(26,27)28;1-17-27-16-32(30-17)7-8-33(20-9-21(34-3)12-22(10-20)35-4)19-5-6-23-24(11-19)29-25(14-26-23)18-13-28-31(2)15-18/h6-11,13-19H,12,30H2,1-3H3;8-15,18-19H,5-7,16-17H2,1-4H3;5-6,9-14,24,35H,4,7-8,29H2,1-3H3;5-6,9-16H,7-8H2,1-4H3
• InChIKey: FFSBYFLSDNINAC-UHFFFAOYSA-N
• XLogP: 17.77
• TPSA: 358.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1934.22
LogP ≤ 5	17.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The IUPAC name of N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine (CID 158018001) is N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine.

What is the SMILES notation for N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The canonical SMILES for N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is CCN(C)Cc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(N(CCCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)cc(OC)c1C(O)C(F)(F)F.COc1cc(OC)cc(N(CC#Cc2ccc(N)cc2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCn2cnc(C)n2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

The InChIKey is FFSBYFLSDNINAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2.C27H32N6O.C25H27F3N6O3.C25H26N8O2/c1-34-19-21(17-32-34)29-18-31-27-11-10-23(15-28(27)33-29)35(12-4-5-20-6-8-22(30)9-7-20)24-13-25(36-2)16-26(14-24)37-3;1-5-31(2)16-20-10-23(12-24(11-20)34-4)33(17-19-6-7-19)22-8-9-25-26(13-22)30-27(15-28-25)21-14-29-32(3)18-21;1-33-14-15(12-31-33)20-13-30-18-6-5-16(9-19(18)32-20)34(8-4-7-29)17-10-21(36-2)23(22(11-17)37-3)24(35)25(26,27)28;1-17-27-16-32(30-17)7-8-33(20-9-21(34-3)12-22(10-20)35-4)19-5-6-23-24(11-19)29-25(14-26-23)18-13-28-31(2)15-18/h6-11,13-19H,12,30H2,1-3H3;8-15,18-19H,5-7,16-17H2,1-4H3;5-6,9-14,24,35H,4,7-8,29H2,1-3H3;5-6,9-16H,7-8H2,1-4H3.

What are the key properties of N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine?

N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine has a molecular weight of 1934.22 g/mol, XLogP of 17.77, 32 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-aminophenyl)prop-2-ynyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;1-[4-[3-aminopropyl-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]amino]-2,6-dimethoxyphenyl]-2,2,2-trifluoroethanol;N-(cyclopropylmethyl)-N-[3-[[ethyl(methyl)amino]methyl]-5-methoxyphenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[2-(3-methyl-1,2,4-triazol-1-yl)ethyl]quinoxalin-6-amine is sourced from PubChem (CID 158018001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).