2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine

C98H105N19O11 — CID 158335245

About 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine

2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine (PubChem CID 158335245) has the molecular formula C98H105N19O11 and a molecular weight of 1725.04 g/mol. Its IUPAC name is 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine
• PubChem CID: 158335245
• Molecular Formula: C98H105N19O11
• Molecular Weight: 1725.04 g/mol
• Exact Mass: 1723.82
• IUPAC Name: 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine
• SMILES: COCCn1cc(-c2ccc3ncc(C(CC4CC4)c4cc(OC)cc(OC)c4)nc3c2)cn1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CCCO2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C27H30N4O3.C25H27N5O3.C24H25N5O2.C22H23N5O3/c1-32-9-8-31-17-21(15-29-31)19-6-7-25-26(13-19)30-27(16-28-25)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3;1-29-15-17(13-27-29)25-14-26-23-7-6-18(11-24(23)28-25)30(16-20-5-4-8-33-20)19-9-21(31-2)12-22(10-19)32-3;1-28-15-17(12-26-28)24-13-25-22-7-6-18(10-23(22)27-24)29(14-16-4-5-16)19-8-20(30-2)11-21(9-19)31-3;1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h6-7,11-18,24H,4-5,8-10H2,1-3H3;6-7,9-15,20H,4-5,8,16H2,1-3H3;6-13,15-16H,4-5,14H2,1-3H3;4-5,8-14,28H,6-7H2,1-3H3
• InChIKey: GQMQBIPVPOLCOQ-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 296.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1725.04
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine?

The IUPAC name of 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine (CID 158335245) is 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine.

What is the SMILES notation for 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine?

The canonical SMILES for 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine is COCCn1cc(-c2ccc3ncc(C(CC4CC4)c4cc(OC)cc(OC)c4)nc3c2)cn1.COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC2CCCO2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine?

The InChIKey is GQMQBIPVPOLCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3.C25H27N5O3.C24H25N5O2.C22H23N5O3/c1-32-9-8-31-17-21(15-29-31)19-6-7-25-26(13-19)30-27(16-28-25)24(10-18-4-5-18)20-11-22(33-2)14-23(12-20)34-3;1-29-15-17(13-27-29)25-14-26-23-7-6-18(11-24(23)28-25)30(16-20-5-4-8-33-20)19-9-21(31-2)12-22(10-19)32-3;1-28-15-17(12-26-28)24-13-25-22-7-6-18(10-23(22)27-24)29(14-16-4-5-16)19-8-20(30-2)11-21(9-19)31-3;1-26-14-15(12-24-26)22-13-23-20-5-4-16(10-21(20)25-22)27(6-7-28)17-8-18(29-2)11-19(9-17)30-3/h6-7,11-18,24H,4-5,8-10H2,1-3H3;6-7,9-15,20H,4-5,8,16H2,1-3H3;6-13,15-16H,4-5,14H2,1-3H3;4-5,8-14,28H,6-7H2,1-3H3.

What are the key properties of 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine?

2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine has a molecular weight of 1725.04 g/mol, XLogP of 17.23, 31 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-cyclopropyl-1-(3,5-dimethoxyphenyl)ethyl]-7-[1-(2-methoxyethyl)pyrazol-4-yl]quinoxaline;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)quinoxalin-6-amine is sourced from PubChem (CID 158335245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).