(2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine

C114H113N15O5 — CID 159318552

About (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine

(2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine (PubChem CID 159318552) has the molecular formula C114H113N15O5 and a molecular weight of 1773.26 g/mol. Its IUPAC name is (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
• PubChem CID: 159318552
• Molecular Formula: C114H113N15O5
• Molecular Weight: 1773.26 g/mol
• Exact Mass: 1771.90
• IUPAC Name: (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine
• SMILES: COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccccn3)cccc12.C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccccn5)cccc4c3C3CC3)cn2)C[C@H](C)O1.Cc1ccc(-c2cccc3c(C4CC4)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(C4CC4)c(-c4ccc(N5C[C@@H](C)O[C@H](C)C5)nc4)cnc23)cc1
• InChI: InChI=1S/C30H28N4O.C30H31N3O.C28H28N4O.C26H26N4O2/c1-19-17-34(18-20(2)35-19)28-14-11-23(15-32-28)27-16-33-30-25(21-9-12-24(31-3)13-10-21)5-4-6-26(30)29(27)22-7-8-22;1-19-7-9-22(10-8-19)25-5-4-6-26-29(23-11-12-23)27(16-32-30(25)26)24-13-14-28(31-15-24)33-17-20(2)34-21(3)18-33;1-18-16-32(17-19(2)33-18)26-12-11-21(14-30-26)24-15-31-28-22(25-8-3-4-13-29-25)6-5-7-23(28)27(24)20-9-10-20;1-17-15-30(16-18(2)32-17)24-11-10-19(13-28-24)22-14-29-25-20(23-9-4-5-12-27-23)7-6-8-21(25)26(22)31-3/h4-6,9-16,19-20,22H,7-8,17-18H2,1-2H3;4-10,13-16,20-21,23H,11-12,17-18H2,1-3H3;3-8,11-15,18-20H,9-10,16-17H2,1-2H3;4-14,17-18H,15-16H2,1-3H3/t19-,20-;20-,21+;18-,19+;17-,18+/m1.../s1
• InChIKey: LDLPIXVPOCZSNN-XIBSKFPXSA-N
• XLogP: 24.60
• TPSA: 192.37 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1773.26
LogP ≤ 5	24.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?

The IUPAC name of (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine (CID 159318552) is (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine.

What is the SMILES notation for (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?

The canonical SMILES for (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine is COc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)nc2)cnc2c(-c3ccccn3)cccc12.C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccccn5)cccc4c3C3CC3)cn2)C[C@H](C)O1.Cc1ccc(-c2cccc3c(C4CC4)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(C4CC4)c(-c4ccc(N5C[C@@H](C)O[C@H](C)C5)nc4)cnc23)cc1.

What is the InChIKey of (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?

The InChIKey is LDLPIXVPOCZSNN-XIBSKFPXSA-N. The full InChI is InChI=1S/C30H28N4O.C30H31N3O.C28H28N4O.C26H26N4O2/c1-19-17-34(18-20(2)35-19)28-14-11-23(15-32-28)27-16-33-30-25(21-9-12-24(31-3)13-10-21)5-4-6-26(30)29(27)22-7-8-22;1-19-7-9-22(10-8-19)25-5-4-6-26-29(23-11-12-23)27(16-32-30(25)26)24-13-14-28(31-15-24)33-17-20(2)34-21(3)18-33;1-18-16-32(17-19(2)33-18)26-12-11-21(14-30-26)24-15-31-28-22(25-8-3-4-13-29-25)6-5-7-23(28)27(24)20-9-10-20;1-17-15-30(16-18(2)32-17)24-11-10-19(13-28-24)22-14-29-25-20(23-9-4-5-12-27-23)7-6-8-21(25)26(22)31-3/h4-6,9-16,19-20,22H,7-8,17-18H2,1-2H3;4-10,13-16,20-21,23H,11-12,17-18H2,1-3H3;3-8,11-15,18-20H,9-10,16-17H2,1-2H3;4-14,17-18H,15-16H2,1-3H3/t19-,20-;20-,21+;18-,19+;17-,18+/m1.../s1.

What are the key properties of (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine?

(2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine has a molecular weight of 1773.26 g/mol, XLogP of 24.60, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6R)-4-[5-[4-cyclopropyl-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-cyclopropyl-8-(4-methylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-cyclopropyl-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2R,6S)-4-[5-(4-methoxy-8-pyridin-2-ylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 159318552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).