(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

C180H171F3N22O11 — CID 160938024

About (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine

(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (PubChem CID 160938024) has the molecular formula C180H171F3N22O11 and a molecular weight of 2875.48 g/mol. Its IUPAC name is (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

Molecular Properties

• Compound Name: (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
• PubChem CID: 160938024
• Molecular Formula: C180H171F3N22O11
• Molecular Weight: 2875.48 g/mol
• Exact Mass: 2873.34
• IUPAC Name: (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine
• SMILES: CC(C)Oc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(=O)c(-c4ccc(N5C[C@@H](C)N(C(=O)CC)[C@@H](C)C5)nc4)c[nH]c23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(N4CCC4)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)c(C(F)(F)F)nc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OCC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3nc(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cc(OC)c23)cc1
• InChI: InChI=1S/C31H31N3O2.C30H26F3N3O2.C30H29N5O2.C30H29N5O.C30H29N3O2.C29H27N3O2/c1-20(2)35-31-28-7-5-6-27(24-10-8-23(16-32)9-11-24)30(28)33-17-29(31)25-12-14-26(15-13-25)34-18-21(3)36-22(4)19-34;1-18-16-36(17-19(2)38-18)23-14-10-21(11-15-23)26-28(37-4)25-7-5-6-24(20-8-12-22(34-3)13-9-20)27(25)35-29(26)30(31,32)33;1-5-28(36)35-19(2)17-34(18-20(35)3)27-14-11-22(15-32-27)26-16-33-29-24(7-6-8-25(29)30(26)37)21-9-12-23(31-4)13-10-21;1-20-18-35(19-21(2)36-20)28-13-10-23(16-32-28)27-17-33-29-25(22-8-11-24(31-3)12-9-22)6-4-7-26(29)30(27)34-14-5-15-34;1-5-34-30-27-8-6-7-26(22-9-13-24(31-4)14-10-22)29(27)32-17-28(30)23-11-15-25(16-12-23)33-18-20(2)35-21(3)19-33;1-19-17-32(18-20(2)34-19)24-14-10-22(11-15-24)27-16-28(33-4)29-25(6-5-7-26(29)31-27)21-8-12-23(30-3)13-9-21/h5-15,17,20-22H,18-19H2,1-4H3;5-15,18-19H,16-17H2,1-2,4H3;6-16,19-20H,5,17-18H2,1-3H3,(H,33,37);4,6-13,16-17,20-21H,5,14-15,18-19H2,1-2H3;6-17,20-21H,5,18-19H2,1-3H3;5-16,19-20H,17-18H2,1-2,4H3/t21-,22+;18-,19+;19-,20+;2*20-,21+;19-,20+
• InChIKey: SUDBAGYPMVVDGG-OIGAXURVSA-N
• XLogP: 40.46
• TPSA: 294.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2875.48
LogP ≤ 5	40.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

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-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

The IUPAC name of (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine (CID 160938024) is (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine.

What is the SMILES notation for (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

The canonical SMILES for (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is CC(C)Oc1c(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)cnc2c(-c3ccc(C#N)cc3)cccc12.[C-]#[N+]c1ccc(-c2cccc3c(=O)c(-c4ccc(N5C[C@@H](C)N(C(=O)CC)[C@@H](C)C5)nc4)c[nH]c23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(N4CCC4)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)c(C(F)(F)F)nc23)cc1.[C-]#[N+]c1ccc(-c2cccc3c(OCC)c(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cnc23)cc1.[C-]#[N+]c1ccc(-c2cccc3nc(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)cc4)cc(OC)c23)cc1.

What is the InChIKey of (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

The InChIKey is SUDBAGYPMVVDGG-OIGAXURVSA-N. The full InChI is InChI=1S/C31H31N3O2.C30H26F3N3O2.C30H29N5O2.C30H29N5O.C30H29N3O2.C29H27N3O2/c1-20(2)35-31-28-7-5-6-27(24-10-8-23(16-32)9-11-24)30(28)33-17-29(31)25-12-14-26(15-13-25)34-18-21(3)36-22(4)19-34;1-18-16-36(17-19(2)38-18)23-14-10-21(11-15-23)26-28(37-4)25-7-5-6-24(20-8-12-22(34-3)13-9-20)27(25)35-29(26)30(31,32)33;1-5-28(36)35-19(2)17-34(18-20(35)3)27-14-11-22(15-32-27)26-16-33-29-24(7-6-8-25(29)30(26)37)21-9-12-23(31-4)13-10-21;1-20-18-35(19-21(2)36-20)28-13-10-23(16-32-28)27-17-33-29-25(22-8-11-24(31-3)12-9-22)6-4-7-26(29)30(27)34-14-5-15-34;1-5-34-30-27-8-6-7-26(22-9-13-24(31-4)14-10-22)29(27)32-17-28(30)23-11-15-25(16-12-23)33-18-20(2)35-21(3)19-33;1-19-17-32(18-20(2)34-19)24-14-10-22(11-15-24)27-16-28(33-4)29-25(6-5-7-26(29)31-27)21-8-12-23(30-3)13-9-21/h5-15,17,20-22H,18-19H2,1-4H3;5-15,18-19H,16-17H2,1-2,4H3;6-16,19-20H,5,17-18H2,1-3H3,(H,33,37);4,6-13,16-17,20-21H,5,14-15,18-19H2,1-2H3;6-17,20-21H,5,18-19H2,1-3H3;5-16,19-20H,17-18H2,1-2,4H3/t21-,22+;18-,19+;19-,20+;2*20-,21+;19-,20+.

What are the key properties of (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine?

(2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine has a molecular weight of 2875.48 g/mol, XLogP of 40.46, 26 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[5-[4-(azetidin-1-yl)-8-(4-isocyanophenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;4-[3-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-propan-2-yloxyquinolin-8-yl]benzonitrile;3-[6-[(3R,5S)-3,5-dimethyl-4-propanoylpiperazin-1-yl]-3-pyridinyl]-8-(4-isocyanophenyl)-1H-quinolin-4-one;(2S,6R)-4-[4-[4-ethoxy-8-(4-isocyanophenyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine;(2R,6S)-4-[4-[5-(4-isocyanophenyl)-4-methoxyquinolin-2-yl]phenyl]-2,6-dimethylmorpholine;(2S,6R)-4-[4-[8-(4-isocyanophenyl)-4-methoxy-2-(trifluoromethyl)quinolin-3-yl]phenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 160938024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).