8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

C97H94N24O6 — CID 157383023

About 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one

8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (PubChem CID 157383023) has the molecular formula C97H94N24O6 and a molecular weight of 1691.98 g/mol. Its IUPAC name is 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.

Molecular Properties

• Compound Name: 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
• PubChem CID: 157383023
• Molecular Formula: C97H94N24O6
• Molecular Weight: 1691.98 g/mol
• Exact Mass: 1690.78
• IUPAC Name: 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
• SMILES: C[C@@H]1CN(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2C(=O)CCN3)C[C@H](C)O1.Cc1ccc2ncc(-c3cnn4c5c(c(N6CCCCC6)nc34)C(=O)CCN5)cc2c1.O=C1CCNc2c1c(N1CCCCC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21.O=C1CCNc2c1c(N1CCOCC1)nc1c(-c3cnc4ccccc4c3)cnn21
• InChI: InChI=1S/C26H26N6O2.C25H24N6O.C24H24N6O.C22H20N6O2/c1-16-14-31(15-17(2)34-16)26-23-22(33)10-11-27-25(23)32-24(30-26)20(13-29-32)19-8-9-21(28-12-19)18-6-4-3-5-7-18;32-21-11-12-26-24-22(21)25(30-13-5-2-6-14-30)29-23-19(16-28-31(23)24)18-9-10-20(27-15-18)17-7-3-1-4-8-17;1-15-5-6-19-16(11-15)12-17(13-26-19)18-14-27-30-22(18)28-24(29-9-3-2-4-10-29)21-20(31)7-8-25-23(21)30;29-18-5-6-23-21-19(18)22(27-7-9-30-10-8-27)26-20-16(13-25-28(20)21)15-11-14-3-1-2-4-17(14)24-12-15/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3;1,3-4,7-10,15-16,26H,2,5-6,11-14H2;5-6,11-14,25H,2-4,7-10H2,1H3;1-4,11-13,23H,5-10H2/t16-,17+
• InChIKey: BLCMCMNMIHYCHW-HHIRZUMWSA-N
• XLogP: 15.54
• TPSA: 320.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 10
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1691.98
LogP ≤ 5	15.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

The IUPAC name of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one (CID 157383023) is 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one.

What is the SMILES notation for 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

The canonical SMILES for 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is C[C@@H]1CN(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2C(=O)CCN3)C[C@H](C)O1.Cc1ccc2ncc(-c3cnn4c5c(c(N6CCCCC6)nc34)C(=O)CCN5)cc2c1.O=C1CCNc2c1c(N1CCCCC1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn21.O=C1CCNc2c1c(N1CCOCC1)nc1c(-c3cnc4ccccc4c3)cnn21.

What is the InChIKey of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

The InChIKey is BLCMCMNMIHYCHW-HHIRZUMWSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H24N6O.C24H24N6O.C22H20N6O2/c1-16-14-31(15-17(2)34-16)26-23-22(33)10-11-27-25(23)32-24(30-26)20(13-29-32)19-8-9-21(28-12-19)18-6-4-3-5-7-18;32-21-11-12-26-24-22(21)25(30-13-5-2-6-14-30)29-23-19(16-28-31(23)24)18-9-10-20(27-15-18)17-7-3-1-4-8-17;1-15-5-6-19-16(11-15)12-17(13-26-19)18-14-27-30-22(18)28-24(29-9-3-2-4-10-29)21-20(31)7-8-25-23(21)30;29-18-5-6-23-21-19(18)22(27-7-9-30-10-8-27)26-20-16(13-25-28(20)21)15-11-14-3-1-2-4-17(14)24-12-15/h3-9,12-13,16-17,27H,10-11,14-15H2,1-2H3;1,3-4,7-10,15-16,26H,2,5-6,11-14H2;5-6,11-14,25H,2-4,7-10H2,1H3;1-4,11-13,23H,5-10H2/t16-,17+;;;.

What are the key properties of 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one?

8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one has a molecular weight of 1691.98 g/mol, XLogP of 15.54, 10 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one is sourced from PubChem (CID 157383023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).