N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol

C118H122Cl2FN27O10 — CID 158058973

About N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol

N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 158058973) has the molecular formula C118H122Cl2FN27O10 and a molecular weight of 2168.36 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol
• PubChem CID: 158058973
• Molecular Formula: C118H122Cl2FN27O10
• Molecular Weight: 2168.36 g/mol
• Exact Mass: 2165.92
• IUPAC Name: N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol
• SMILES: CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.COc1cc(F)cc(N(CCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCCCl)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.c1ccc(N(CC2CC2)c2cnc3ccc(-c4cnn(C5CCCCO5)c4)cc3n2)cc1
• InChI: InChI=1S/C26H27N5O.C24H28N6O3.C24H24N6O2.C22H21Cl2N5O.C22H22FN5O3/c1-2-6-22(7-3-1)30(17-19-9-10-19)25-16-27-23-12-11-20(14-24(23)29-25)21-15-28-31(18-21)26-8-4-5-13-32-26;1-25-6-7-30(19-10-20(32-2)13-21(11-19)33-3)18-4-5-22-23(12-18)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-25-24(31)16-7-19(9-20(8-16)32-2)30(14-15-3-4-15)18-5-6-21-22(10-18)29-23(13-26-21)17-11-27-28-12-17;1-28-14-15(12-26-28)21-13-25-19-7-4-16(10-20(19)27-21)29(9-3-8-23)22-11-17(30-2)5-6-18(22)24;1-31-19-9-16(23)8-18(10-19)28(5-7-30)17-2-3-20-21(11-17)26-22(13-24-20)15-12-25-27(14-15)4-6-29/h1-3,6-7,11-12,14-16,18-19,26H,4-5,8-10,13,17H2;4-5,10-16,25,31H,6-9H2,1-3H3;5-13,15H,3-4,14H2,1-2H3,(H,25,31)(H,27,28);4-7,10-14H,3,8-9H2,1-2H3;2-3,8-14,29-30H,4-7H2,1H3
• InChIKey: FKKIXSHCJFYLFH-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 402.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2168.36
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol?

The IUPAC name of N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol (CID 158058973) is N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol is CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.COc1cc(F)cc(N(CCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCCCl)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.c1ccc(N(CC2CC2)c2cnc3ccc(-c4cnn(C5CCCCO5)c4)cc3n2)cc1.

What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol?

The InChIKey is FKKIXSHCJFYLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O.C24H28N6O3.C24H24N6O2.C22H21Cl2N5O.C22H22FN5O3/c1-2-6-22(7-3-1)30(17-19-9-10-19)25-16-27-23-12-11-20(14-24(23)29-25)21-15-28-31(18-21)26-8-4-5-13-32-26;1-25-6-7-30(19-10-20(32-2)13-21(11-19)33-3)18-4-5-22-23(12-18)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-25-24(31)16-7-19(9-20(8-16)32-2)30(14-15-3-4-15)18-5-6-21-22(10-18)29-23(13-26-21)17-11-27-28-12-17;1-28-14-15(12-26-28)21-13-25-19-7-4-16(10-20(19)27-21)29(9-3-8-23)22-11-17(30-2)5-6-18(22)24;1-31-19-9-16(23)8-18(10-19)28(5-7-30)17-2-3-20-21(11-17)26-22(13-24-20)15-12-25-27(14-15)4-6-29/h1-3,6-7,11-12,14-16,18-19,26H,4-5,8-10,13,17H2;4-5,10-16,25,31H,6-9H2,1-3H3;5-13,15H,3-4,14H2,1-2H3,(H,25,31)(H,27,28);4-7,10-14H,3,8-9H2,1-2H3;2-3,8-14,29-30H,4-7H2,1H3.

What are the key properties of N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol?

N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 2168.36 g/mol, XLogP of 20.76, 38 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-methoxyphenyl)-N-(3-chloropropyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-7-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-2-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-[3-fluoro-N-(2-hydroxyethyl)-5-methoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158058973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).