(2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

C171H169ClFN23O12 — CID 158599919

About (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

(2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 158599919) has the molecular formula C171H169ClFN23O12 and a molecular weight of 2792.83 g/mol. Its IUPAC name is (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
• PubChem CID: 158599919
• Molecular Formula: C171H169ClFN23O12
• Molecular Weight: 2792.83 g/mol
• Exact Mass: 2790.30
• IUPAC Name: (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
• SMILES: COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2C)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccc(C(C)C)nc3Cl)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccnn3C)cccc12.COc1c(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)cc2C)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4F)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4C)cnc23)cc1
• InChI: InChI=1S/C30H29N3O2.C29H31ClN4O2.C29H26FN3O2.2C29H28N4O2.C25H27N5O2/c1-19-14-24(33-17-20(2)35-21(3)18-33)12-13-25(19)28-16-32-29-26(6-5-7-27(29)30(28)34-4)23-10-8-22(15-31)9-11-23;1-17(2)25-11-10-22(29(30)33-25)21-7-6-8-23-27(21)32-14-24(28(23)35-5)20-9-12-26(31-13-20)34-15-18(3)36-19(4)16-34;1-18-16-33(17-19(2)35-18)22-12-13-24(27(30)14-22)26-15-32-28-23(6-5-7-25(28)29(26)34-4)20-8-10-21(31-3)11-9-20;1-18-16-33(17-19(2)35-18)27-14-13-23(20(3)32-27)26-15-31-28-24(7-6-8-25(28)29(26)34-5)21-9-11-22(30-4)12-10-21;1-18-12-27(33-16-19(2)35-20(3)17-33)31-14-25(18)26-15-32-28-23(6-5-7-24(28)29(26)34-4)22-10-8-21(13-30)9-11-22;1-16-14-30(15-17(2)32-16)23-9-8-18(12-26-23)21-13-27-24-19(22-10-11-28-29(22)3)6-5-7-20(24)25(21)31-4/h5-14,16,20-21H,17-18H2,1-4H3;6-14,17-19H,15-16H2,1-5H3;5-15,18-19H,16-17H2,1-2,4H3;6-15,18-19H,16-17H2,1-3,5H3;5-12,14-15,19-20H,16-17H2,1-4H3;5-13,16-17H,14-15H2,1-4H3/t20-,21+;3*18-,19+;19-,20+;16-,17+
• InChIKey: HVMVUMVBEMZGPD-ZFCZERFJSA-N
• XLogP: 36.54
• TPSA: 346.11 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2792.83
LogP ≤ 5	36.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?

The IUPAC name of (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (CID 158599919) is (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

What is the SMILES notation for (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?

The canonical SMILES for (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2C)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccc(C(C)C)nc3Cl)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccnn3C)cccc12.COc1c(-c2cnc(N3C[C@@H](C)O[C@@H](C)C3)cc2C)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4F)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4C)cnc23)cc1.

What is the InChIKey of (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?

The InChIKey is HVMVUMVBEMZGPD-ZFCZERFJSA-N. The full InChI is InChI=1S/C30H29N3O2.C29H31ClN4O2.C29H26FN3O2.2C29H28N4O2.C25H27N5O2/c1-19-14-24(33-17-20(2)35-21(3)18-33)12-13-25(19)28-16-32-29-26(6-5-7-27(29)30(28)34-4)23-10-8-22(15-31)9-11-23;1-17(2)25-11-10-22(29(30)33-25)21-7-6-8-23-27(21)32-14-24(28(23)35-5)20-9-12-26(31-13-20)34-15-18(3)36-19(4)16-34;1-18-16-33(17-19(2)35-18)22-12-13-24(27(30)14-22)26-15-32-28-23(6-5-7-25(28)29(26)34-4)20-8-10-21(31-3)11-9-20;1-18-16-33(17-19(2)35-18)27-14-13-23(20(3)32-27)26-15-31-28-24(7-6-8-25(28)29(26)34-5)21-9-11-22(30-4)12-10-21;1-18-12-27(33-16-19(2)35-20(3)17-33)31-14-25(18)26-15-32-28-23(6-5-7-24(28)29(26)34-4)22-10-8-21(13-30)9-11-22;1-16-14-30(15-17(2)32-16)23-9-8-18(12-26-23)21-13-27-24-19(22-10-11-28-29(22)3)6-5-7-20(24)25(21)31-4/h5-14,16,20-21H,17-18H2,1-4H3;6-14,17-19H,15-16H2,1-5H3;5-15,18-19H,16-17H2,1-2,4H3;6-15,18-19H,16-17H2,1-3,5H3;5-12,14-15,19-20H,16-17H2,1-4H3;5-13,16-17H,14-15H2,1-4H3/t20-,21+;3*18-,19+;19-,20+;16-,17+.

What are the key properties of (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine?

(2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 2792.83 g/mol, XLogP of 36.54, 25 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylphenyl]-4-methoxyquinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methyl-3-pyridinyl]-4-methoxyquinolin-8-yl]benzonitrile;(2S,6R)-4-[3-fluoro-4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-6-methyl-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(2-methylpyrazol-3-yl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 158599919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).