N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine

C84H101N19O7 — CID 159683053

About N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine

N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine (PubChem CID 159683053) has the molecular formula C84H101N19O7 and a molecular weight of 1488.86 g/mol. Its IUPAC name is N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
• PubChem CID: 159683053
• Molecular Formula: C84H101N19O7
• Molecular Weight: 1488.86 g/mol
• Exact Mass: 1487.81
• IUPAC Name: N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
• SMILES: CCCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCN(CCO)CC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCNCC5)c4)nc3c2)c1
• InChI: InChI=1S/C31H39N7O3.C29H35N7O2.C24H27N5O2/c1-40-27-15-26(16-28(18-27)41-2)38(21-23-3-4-23)25-5-6-29-30(17-25)34-31(20-32-29)24-19-33-37(22-24)12-11-35-7-9-36(10-8-35)13-14-39;1-37-25-13-24(14-26(16-25)38-2)36(19-21-3-4-21)23-5-6-27-28(15-23)33-29(18-31-27)22-17-32-35(20-22)12-11-34-9-7-30-8-10-34;1-5-6-9-29(19-10-20(30-3)13-21(11-19)31-4)18-7-8-22-23(12-18)27-24(15-25-22)17-14-26-28(2)16-17/h5-6,15-20,22-23,39H,3-4,7-14,21H2,1-2H3;5-6,13-18,20-21,30H,3-4,7-12,19H2,1-2H3;7-8,10-16H,5-6,9H2,1-4H3
• InChIKey: MVLDBEQPSVJVTD-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 237.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.86
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine?

The IUPAC name of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine (CID 159683053) is N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine.

What is the SMILES notation for N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine?

The canonical SMILES for N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine is CCCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCN(CCO)CC5)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCN5CCNCC5)c4)nc3c2)c1.

What is the InChIKey of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine?

The InChIKey is MVLDBEQPSVJVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N7O3.C29H35N7O2.C24H27N5O2/c1-40-27-15-26(16-28(18-27)41-2)38(21-23-3-4-23)25-5-6-29-30(17-25)34-31(20-32-29)24-19-33-37(22-24)12-11-35-7-9-36(10-8-35)13-14-39;1-37-25-13-24(14-26(16-25)38-2)36(19-21-3-4-21)23-5-6-27-28(15-23)33-29(18-31-27)22-17-32-35(20-22)12-11-34-9-7-30-8-10-34;1-5-6-9-29(19-10-20(30-3)13-21(11-19)31-4)18-7-8-22-23(12-18)27-24(15-25-22)17-14-26-28(2)16-17/h5-6,15-20,22-23,39H,3-4,7-14,21H2,1-2H3;5-6,13-18,20-21,30H,3-4,7-12,19H2,1-2H3;7-8,10-16H,5-6,9H2,1-4H3.

What are the key properties of N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine?

N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine has a molecular weight of 1488.86 g/mol, XLogP of 12.62, 30 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine is sourced from PubChem (CID 159683053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).