N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine

C103H114ClN23O8 — CID 159857348

About N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine

N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine (PubChem CID 159857348) has the molecular formula C103H114ClN23O8 and a molecular weight of 1837.65 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine.

Molecular Properties

• Compound Name: N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine
• PubChem CID: 159857348
• Molecular Formula: C103H114ClN23O8
• Molecular Weight: 1837.65 g/mol
• Exact Mass: 1835.89
• IUPAC Name: N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine
• SMILES: C#C[C@H]1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)C1.CCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1Cl.COc1cc(OC)cc(N(CCCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
• InChI: InChI=1S/C28H30N6O2.C27H30N6O3.C26H32N6O2.C22H22ClN5O/c1-5-20-8-9-33(18-20)10-11-34(23-12-24(35-3)15-25(13-23)36-4)22-6-7-26-27(14-22)31-28(17-29-26)21-16-30-32(2)19-21;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;1-18(2)27-9-6-10-32(21-11-22(33-4)14-23(12-21)34-5)20-7-8-24-25(13-20)30-26(16-28-24)19-15-29-31(3)17-19;1-4-9-28(22-11-17(29-3)6-7-18(22)23)16-5-8-19-20(10-16)26-21(13-24-19)15-12-25-27(2)14-15/h1,6-7,12-17,19-20H,8-11,18H2,2-4H3;7-8,12-18H,4-6,9-11H2,1-3H3;7-8,11-18,27H,6,9-10H2,1-5H3;5-8,10-14H,4,9H2,1-3H3/t20-;;;/m0.../s1
• InChIKey: NQRSBTQMDAZKHP-MLQCRBJCSA-N
• XLogP: 18.15
• TPSA: 287.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 30
• Rotatable Bonds: 33
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.65
LogP ≤ 5	18.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine?

The IUPAC name of N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine (CID 159857348) is N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine.

What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine?

The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine is C#C[C@H]1CCN(CCN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)C1.CCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1Cl.COc1cc(OC)cc(N(CCCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine?

The InChIKey is NQRSBTQMDAZKHP-MLQCRBJCSA-N. The full InChI is InChI=1S/C28H30N6O2.C27H30N6O3.C26H32N6O2.C22H22ClN5O/c1-5-20-8-9-33(18-20)10-11-34(23-12-24(35-3)15-25(13-23)36-4)22-6-7-26-27(14-22)31-28(17-29-26)21-16-30-32(2)19-21;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;1-18(2)27-9-6-10-32(21-11-22(33-4)14-23(12-21)34-5)20-7-8-24-25(13-20)30-26(16-28-24)19-15-29-31(3)17-19;1-4-9-28(22-11-17(29-3)6-7-18(22)23)16-5-8-19-20(10-16)26-21(13-24-19)15-12-25-27(2)14-15/h1,6-7,12-17,19-20H,8-11,18H2,2-4H3;7-8,12-18H,4-6,9-11H2,1-3H3;7-8,11-18,27H,6,9-10H2,1-5H3;5-8,10-14H,4,9H2,1-3H3/t20-;;;/m0.../s1.

What are the key properties of N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine?

N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine has a molecular weight of 1837.65 g/mol, XLogP of 18.15, 33 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 159857348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).