2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one

C75H79ClN18O7 — CID 159944763

About 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one

2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one (PubChem CID 159944763) has the molecular formula C75H79ClN18O7 and a molecular weight of 1380.03 g/mol. Its IUPAC name is 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one
• PubChem CID: 159944763
• Molecular Formula: C75H79ClN18O7
• Molecular Weight: 1380.03 g/mol
• Exact Mass: 1378.61
• IUPAC Name: 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one
• SMILES: COc1cc(OC)cc(N(CCCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CC[C@H](C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C27H29N7O2.C27H30N6O3.C21H20ClN5O2/c1-32-18-20(15-30-32)27-16-29-25-5-4-21(12-26(25)31-27)34(9-8-33-7-6-19(14-28)17-33)22-10-23(35-2)13-24(11-22)36-3;1-31-18-19(16-29-31)26-17-28-24-8-7-20(14-25(24)30-26)33(11-5-10-32-9-4-6-27(32)34)21-12-22(35-2)15-23(13-21)36-3;1-26-13-14(11-24-26)20-12-23-18-6-3-15(9-19(18)25-20)27(7-8-28)21-10-16(29-2)4-5-17(21)22/h4-5,10-13,15-16,18-19H,6-9,17H2,1-3H3;7-8,12-18H,4-6,9-11H2,1-3H3;3-6,9-13,28H,7-8H2,1-2H3/t19-;;/m1../s1
• InChIKey: OBIQBQFBILOPHF-JQDLGSOUSA-N
• XLogP: 12.05
• TPSA: 254.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1380.03
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one?

The IUPAC name of 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one (CID 159944763) is 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one.

What is the SMILES notation for 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one?

The canonical SMILES for 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one is COc1cc(OC)cc(N(CCCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CC[C@H](C#N)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1ccc(Cl)c(N(CCO)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one?

The InChIKey is OBIQBQFBILOPHF-JQDLGSOUSA-N. The full InChI is InChI=1S/C27H29N7O2.C27H30N6O3.C21H20ClN5O2/c1-32-18-20(15-30-32)27-16-29-25-5-4-21(12-26(25)31-27)34(9-8-33-7-6-19(14-28)17-33)22-10-23(35-2)13-24(11-22)36-3;1-31-18-19(16-29-31)26-17-28-24-8-7-20(14-25(24)30-26)33(11-5-10-32-9-4-6-27(32)34)21-12-22(35-2)15-23(13-21)36-3;1-26-13-14(11-24-26)20-12-23-18-6-3-15(9-19(18)25-20)27(7-8-28)21-10-16(29-2)4-5-17(21)22/h4-5,10-13,15-16,18-19H,6-9,17H2,1-3H3;7-8,12-18H,4-6,9-11H2,1-3H3;3-6,9-13,28H,7-8H2,1-2H3/t19-;;/m1../s1.

What are the key properties of 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one?

2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one has a molecular weight of 1380.03 g/mol, XLogP of 12.05, 23 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 159944763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).