(2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

C172H165ClF4N16O13 — CID 161222459

About (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

(2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (PubChem CID 161222459) has the molecular formula C172H165ClF4N16O13 and a molecular weight of 2775.76 g/mol. Its IUPAC name is (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
• PubChem CID: 161222459
• Molecular Formula: C172H165ClF4N16O13
• Molecular Weight: 2775.76 g/mol
• Exact Mass: 2773.24
• IUPAC Name: (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
• SMILES: COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(C)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(F)c(Cl)c3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(OC(F)(F)F)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c2C(C)CN(c2ccc(N4C[C@@H](C)O[C@@H](C)C4)cc2)C3=O)cc1.[C-]#[N+]c1ccc(-c2cncc3c(=O)n(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cc(C)c23)cc1
• InChI: InChI=1S/C29H27F3N2O3.C29H27N3O2.C29H29N3O2.C29H30N2O2.C28H26ClFN2O2.C28H26N4O2/c1-18-16-34(17-19(2)36-18)22-11-7-21(8-12-22)26-15-33-27-24(5-4-6-25(27)28(26)35-3)20-9-13-23(14-10-20)37-29(30,31)32;1-19-17-32(18-20(2)34-19)24-14-10-22(11-15-24)27-16-31-28-25(6-5-7-26(28)29(27)33-4)21-8-12-23(30-3)13-9-21;1-19-16-32(25-14-12-24(13-15-25)31-17-20(2)34-21(3)18-31)29(33)27-7-5-6-26(28(19)27)22-8-10-23(30-4)11-9-22;1-19-8-10-22(11-9-19)25-6-5-7-26-28(25)30-16-27(29(26)32-4)23-12-14-24(15-13-23)31-17-20(2)33-21(3)18-31;1-17-15-32(16-18(2)34-17)21-10-7-19(8-11-21)24-14-31-27-22(5-4-6-23(27)28(24)33-3)20-9-12-26(30)25(29)13-20;1-18-15-32(24-11-9-23(10-12-24)31-16-19(2)34-20(3)17-31)28(33)26-14-30-13-25(27(18)26)21-5-7-22(29-4)8-6-21/h4-15,18-19H,16-17H2,1-3H3;5-16,19-20H,17-18H2,1-2,4H3;5-15,19-21H,16-18H2,1-3H3;5-16,20-21H,17-18H2,1-4H3;4-14,17-18H,15-16H2,1-3H3;5-15,19-20H,16-17H2,1-3H3/t18-,19+;19-,20+;19?,20-,21+;20-,21+;17-,18+;19-,20+
• InChIKey: UXRSTOJKGWAYRW-ATUMVOTJSA-N
• XLogP: 39.12
• TPSA: 240.81 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 23
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2775.76
LogP ≤ 5	39.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

The IUPAC name of (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (CID 161222459) is (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

What is the SMILES notation for (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

The canonical SMILES for (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(C)cc3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(F)c(Cl)c3)cccc12.COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(OC(F)(F)F)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c2C(C)CN(c2ccc(N4C[C@@H](C)O[C@@H](C)C4)cc2)C3=O)cc1.[C-]#[N+]c1ccc(-c2cncc3c(=O)n(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cc(C)c23)cc1.

What is the InChIKey of (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

The InChIKey is UXRSTOJKGWAYRW-ATUMVOTJSA-N. The full InChI is InChI=1S/C29H27F3N2O3.C29H27N3O2.C29H29N3O2.C29H30N2O2.C28H26ClFN2O2.C28H26N4O2/c1-18-16-34(17-19(2)36-18)22-11-7-21(8-12-22)26-15-33-27-24(5-4-6-25(27)28(26)35-3)20-9-13-23(14-10-20)37-29(30,31)32;1-19-17-32(18-20(2)34-19)24-14-10-22(11-15-24)27-16-31-28-25(6-5-7-26(28)29(27)33-4)21-8-12-23(30-3)13-9-21;1-19-16-32(25-14-12-24(13-15-25)31-17-20(2)34-21(3)18-31)29(33)27-7-5-6-26(28(19)27)22-8-10-23(30-4)11-9-22;1-19-8-10-22(11-9-19)25-6-5-7-26-28(25)30-16-27(29(26)32-4)23-12-14-24(15-13-23)31-17-20(2)33-21(3)18-31;1-17-15-32(16-18(2)34-17)21-10-7-19(8-11-21)24-14-31-27-22(5-4-6-23(27)28(24)33-3)20-9-12-26(30)25(29)13-20;1-18-15-32(24-11-9-23(10-12-24)31-16-19(2)34-20(3)17-31)28(33)26-14-30-13-25(27(18)26)21-5-7-22(29-4)8-6-21/h4-15,18-19H,16-17H2,1-3H3;5-16,19-20H,17-18H2,1-2,4H3;5-15,19-21H,16-18H2,1-3H3;5-16,20-21H,17-18H2,1-4H3;4-14,17-18H,15-16H2,1-3H3;5-15,19-20H,16-17H2,1-3H3/t18-,19+;19-,20+;19?,20-,21+;20-,21+;17-,18+;19-,20+.

What are the key properties of (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

(2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine has a molecular weight of 2775.76 g/mol, XLogP of 39.12, 23 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-4-[4-[8-(3-chloro-4-fluorophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-3,4-dihydroisoquinolin-1-one;2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-5-(4-isocyanophenyl)-4-methyl-2,7-naphthyridin-1-one;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-(4-methylphenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 161222459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).