4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine

C171H165ClN26O11 — CID 157155239

About 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine

4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine (PubChem CID 157155239) has the molecular formula C171H165ClN26O11 and a molecular weight of 2795.82 g/mol. Its IUPAC name is 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine
• PubChem CID: 157155239
• Molecular Formula: C171H165ClN26O11
• Molecular Weight: 2795.82 g/mol
• Exact Mass: 2793.28
• IUPAC Name: 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine
• SMILES: C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cncc4c3Cl)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cncc4c3N(C)C)cc2)C[C@H](C)O1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)N(C(=O)CC)[C@@H](C)C5)nc4)nnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)nnc23)cc1.[C-]#[N+]c1ccc(-c2cncc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(C2(O)CCCc3c2ncc(-c2ccc(N4C[C@@H](C)O[C@@H](C)C4)cc2)c3OC)cc1
• InChI: InChI=1S/C30H30N6O2.C29H29N5O.C29H31N3O3.2C28H26N4O2.C27H23ClN4O/c1-6-27(37)36-19(2)17-35(18-20(36)3)26-15-12-22(16-32-26)28-30(38-5)25-9-7-8-24(29(25)34-33-28)21-10-13-23(31-4)14-11-21;1-19-17-34(18-20(2)35-19)24-11-9-23(10-12-24)26-16-32-28-25(22-7-5-21(13-30)6-8-22)14-31-15-27(28)29(26)33(3)4;1-19-17-32(18-20(2)35-19)24-13-7-21(8-14-24)26-16-31-28-25(27(26)34-4)6-5-15-29(28,33)22-9-11-23(30-3)12-10-22;1-18-16-32(17-19(2)34-18)23-11-7-21(8-12-23)25-15-31-27-24(13-30-14-26(27)28(25)33-4)20-5-9-22(29-3)10-6-20;1-18-16-32(17-19(2)34-18)23-14-10-21(11-15-23)26-28(33-4)25-7-5-6-24(27(25)31-30-26)20-8-12-22(29-3)13-9-20;1-17-15-32(16-18(2)33-17)22-9-7-20(8-10-22)23-14-31-27-24(12-30-13-25(27)26(23)28)21-5-3-19(11-29)4-6-21/h7-16,19-20H,6,17-18H2,1-3,5H3;5-12,14-16,19-20H,17-18H2,1-4H3;7-14,16,19-20,33H,5-6,15,17-18H2,1-2,4H3;2*5-15,18-19H,16-17H2,1-2,4H3;3-10,12-14,17-18H,15-16H2,1-2H3/t2*19-,20+;19-,20+,29?;2*18-,19+;17-,18+
• InChIKey: ALSPFFVAFYTBPN-OAIPRNOQSA-N
• XLogP: 35.14
• TPSA: 365.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2795.82
LogP ≤ 5	35.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine?

The IUPAC name of 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine (CID 157155239) is 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine.

What is the SMILES notation for 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine?

The canonical SMILES for 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine is C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cncc4c3Cl)cc2)C[C@H](C)O1.C[C@@H]1CN(c2ccc(-c3cnc4c(-c5ccc(C#N)cc5)cncc4c3N(C)C)cc2)C[C@H](C)O1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)N(C(=O)CC)[C@@H](C)C5)nc4)nnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)nnc23)cc1.[C-]#[N+]c1ccc(-c2cncc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(C2(O)CCCc3c2ncc(-c2ccc(N4C[C@@H](C)O[C@@H](C)C4)cc2)c3OC)cc1.

What is the InChIKey of 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine?

The InChIKey is ALSPFFVAFYTBPN-OAIPRNOQSA-N. The full InChI is InChI=1S/C30H30N6O2.C29H29N5O.C29H31N3O3.2C28H26N4O2.C27H23ClN4O/c1-6-27(37)36-19(2)17-35(18-20(36)3)26-15-12-22(16-32-26)28-30(38-5)25-9-7-8-24(29(25)34-33-28)21-10-13-23(31-4)14-11-21;1-19-17-34(18-20(2)35-19)24-11-9-23(10-12-24)26-16-32-28-25(22-7-5-21(13-30)6-8-22)14-31-15-27(28)29(26)33(3)4;1-19-17-32(18-20(2)35-19)24-13-7-21(8-14-24)26-16-31-28-25(27(26)34-4)6-5-15-29(28,33)22-9-11-23(30-3)12-10-22;1-18-16-32(17-19(2)34-18)23-11-7-21(8-12-23)25-15-31-27-24(13-30-14-26(27)28(25)33-4)20-5-9-22(29-3)10-6-20;1-18-16-32(17-19(2)34-18)23-14-10-21(11-15-23)26-28(33-4)25-7-5-6-24(27(25)31-30-26)20-8-12-22(29-3)13-9-20;1-17-15-32(16-18(2)33-17)22-9-7-20(8-10-22)23-14-31-27-24(12-30-13-25(27)26(23)28)21-5-3-19(11-29)4-6-21/h7-16,19-20H,6,17-18H2,1-3,5H3;5-12,14-16,19-20H,17-18H2,1-4H3;7-14,16,19-20,33H,5-6,15,17-18H2,1-2,4H3;2*5-15,18-19H,16-17H2,1-2,4H3;3-10,12-14,17-18H,15-16H2,1-2H3/t2*19-,20+;19-,20+,29?;2*18-,19+;17-,18+.

What are the key properties of 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine?

4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine has a molecular weight of 2795.82 g/mol, XLogP of 35.14, 24 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-chloro-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;4-[4-(dimethylamino)-3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,6-naphthyridin-8-yl]benzonitrile;3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-8-(4-isocyanophenyl)-4-methoxy-6,7-dihydro-5H-quinolin-8-ol;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]phenyl]-2,6-dimethylmorpholine;1-[(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxycinnolin-3-yl]-2-pyridinyl]-2,6-dimethylpiperazin-1-yl]propan-1-one;(2R,6S)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-1,6-naphthyridin-3-yl]phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 157155239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).