(2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

C174H160ClF5N20O10 — CID 159735325

About (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine

(2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 159735325) has the molecular formula C174H160ClF5N20O10 and a molecular weight of 2821.77 g/mol. Its IUPAC name is (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
• PubChem CID: 159735325
• Molecular Formula: C174H160ClF5N20O10
• Molecular Weight: 2821.77 g/mol
• Exact Mass: 2819.22
• IUPAC Name: (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
• SMILES: CCc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12.C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C3CC3)cn2)C[C@H](C)O1.[C-]#[N+]c1ccc(-c2cc(Cl)cc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cc(F)cc3c(OC)c(-c4ccc(N5CC(C)OC(C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(C)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)cnc23)cc1
• InChI: InChI=1S/C30H28N4O.C29H26ClN3O2.C29H26F4N2O3.C29H26FN3O2.C29H28N4O.C28H26N4O/c1-19-17-34(18-20(2)35-19)28-13-12-24(15-32-28)27-16-33-30-25(22-8-6-21(14-31)7-9-22)4-3-5-26(30)29(27)23-10-11-23;1-18-16-33(17-19(2)35-18)24-11-7-21(8-12-24)27-15-32-28-25(20-5-9-23(31-3)10-6-20)13-22(30)14-26(28)29(27)34-4;1-17-15-35(16-18(2)37-17)22-8-4-20(5-9-22)26-14-34-27-24(12-21(30)13-25(27)28(26)36-3)19-6-10-23(11-7-19)38-29(31,32)33;1-18-16-33(17-19(2)35-18)24-11-7-21(8-12-24)27-15-32-28-25(20-5-9-23(31-3)10-6-20)13-22(30)14-26(28)29(27)34-4;1-4-24-26-7-5-6-25(22-10-8-21(14-30)9-11-22)29(26)32-16-27(24)23-12-13-28(31-15-23)33-17-19(2)34-20(3)18-33;1-18-16-32(17-19(2)33-18)27-13-10-22(14-30-27)26-15-31-28-24(20(26)3)6-5-7-25(28)21-8-11-23(29-4)12-9-21/h3-9,12-13,15-16,19-20,23H,10-11,17-18H2,1-2H3;5-15,18-19H,16-17H2,1-2,4H3;4-14,17-18H,15-16H2,1-3H3;5-15,18-19H,16-17H2,1-2,4H3;5-13,15-16,19-20H,4,17-18H2,1-3H3;5-15,18-19H,16-17H2,1-3H3/t19-,20+;18-,19+;17-,18+;;19-,20+;18-,19+
• InChIKey: NBTOCEYJPZHWPP-UKTOIWSYSA-N
• XLogP: 40.28
• TPSA: 288.41 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2821.77
LogP ≤ 5	40.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine (CID 159735325) is (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine.

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

The canonical SMILES for (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is CCc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccc(C#N)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(OC(F)(F)F)cc3)cc(F)cc12.C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cccc4c3C3CC3)cn2)C[C@H](C)O1.[C-]#[N+]c1ccc(-c2cc(Cl)cc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cc(F)cc3c(OC)c(-c4ccc(N5CC(C)OC(C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(C)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)cnc23)cc1.

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

The InChIKey is NBTOCEYJPZHWPP-UKTOIWSYSA-N. The full InChI is InChI=1S/C30H28N4O.C29H26ClN3O2.C29H26F4N2O3.C29H26FN3O2.C29H28N4O.C28H26N4O/c1-19-17-34(18-20(2)35-19)28-13-12-24(15-32-28)27-16-33-30-25(22-8-6-21(14-31)7-9-22)4-3-5-26(30)29(27)23-10-11-23;1-18-16-33(17-19(2)35-18)24-11-7-21(8-12-24)27-15-32-28-25(20-5-9-23(31-3)10-6-20)13-22(30)14-26(28)29(27)34-4;1-17-15-35(16-18(2)37-17)22-8-4-20(5-9-22)26-14-34-27-24(12-21(30)13-25(27)28(26)36-3)19-6-10-23(11-7-19)38-29(31,32)33;1-18-16-33(17-19(2)35-18)24-11-7-21(8-12-24)27-15-32-28-25(20-5-9-23(31-3)10-6-20)13-22(30)14-26(28)29(27)34-4;1-4-24-26-7-5-6-25(22-10-8-21(14-30)9-11-22)29(26)32-16-27(24)23-12-13-28(31-15-23)33-17-19(2)34-20(3)18-33;1-18-16-32(17-19(2)33-18)27-13-10-22(14-30-27)26-15-31-28-24(20(26)3)6-5-7-25(28)21-8-11-23(29-4)12-9-21/h3-9,12-13,15-16,19-20,23H,10-11,17-18H2,1-2H3;5-15,18-19H,16-17H2,1-2,4H3;4-14,17-18H,15-16H2,1-3H3;5-15,18-19H,16-17H2,1-2,4H3;5-13,15-16,19-20H,4,17-18H2,1-3H3;5-15,18-19H,16-17H2,1-3H3/t19-,20+;18-,19+;17-,18+;;19-,20+;18-,19+.

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

(2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 2821.77 g/mol, XLogP of 40.28, 24 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[4-[6-chloro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;4-[4-cyclopropyl-3-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]quinolin-8-yl]benzonitrile;4-[3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-4-ethylquinolin-8-yl]benzonitrile;4-[4-[6-fluoro-8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[6-fluoro-4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-[8-(4-isocyanophenyl)-4-methylquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 159735325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).