(2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C140H103Br3N18O15S — CID 159838964

About (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

(2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 159838964) has the molecular formula C140H103Br3N18O15S and a molecular weight of 2549.25 g/mol. Its IUPAC name is (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

• Compound Name: (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
• PubChem CID: 159838964
• Molecular Formula: C140H103Br3N18O15S
• Molecular Weight: 2549.25 g/mol
• Exact Mass: 2544.51
• IUPAC Name: (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
• SMILES: COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4[C@H](C3=O)C3C=C[C@H]4C3)cc2)cc1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4cc(Br)ccc4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4ccc(Br)cc4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4ccc5cccnc5c4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4cccc(Br)c4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4ccccc4n3)cc1)C1C=C[C@H]2C1
• InChI: InChI=1S/C26H18N4O2.3C23H16BrN3O2.C23H17N3O2.C22H20N2O5S/c31-25-20-16-4-5-17(12-16)21(20)26(32)30(25)19-9-7-15(8-10-19)24-28-13-18-6-3-14-2-1-11-27-22(14)23(18)29-24;24-16-6-3-15-11-25-21(26-18(15)10-16)12-4-7-17(8-5-12)27-22(28)19-13-1-2-14(9-13)20(19)23(27)29;24-16-5-8-18-15(10-16)11-25-21(26-18)12-3-6-17(7-4-12)27-22(28)19-13-1-2-14(9-13)20(19)23(27)29;24-17-3-1-2-15-11-25-21(26-20(15)17)12-6-8-16(9-7-12)27-22(28)18-13-4-5-14(10-13)19(18)23(27)29;27-22-19-14-5-6-15(11-14)20(19)23(28)26(22)17-9-7-13(8-10-17)21-24-12-16-3-1-2-4-18(16)25-21;1-29-17-8-4-15(5-9-17)23-30(27,28)18-10-6-16(7-11-18)24-21(25)19-13-2-3-14(12-13)20(19)22(24)26/h1-11,13,16-17,20-21H,12H2;2*1-8,10-11,13-14,19-20H,9H2;1-9,11,13-14,18-19H,10H2;1-10,12,14-15,19-20H,11H2;2-11,13-14,19-20,23H,12H2,1H3/t16-,17?,20-,21+;2*13-,14?,19-,20+;13-,14?,18-,19+;14-,15?,19-,20+;13-,14?,19-,20+/m000000/s1
• InChIKey: NOLASMQXELMUKB-IZRYYSJUSA-N
• XLogP: 23.68
• TPSA: 421.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.25
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

The IUPAC name of (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 159838964) is (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

What is the SMILES notation for (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

The canonical SMILES for (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)[C@@H]4[C@H](C3=O)C3C=C[C@H]4C3)cc2)cc1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4cc(Br)ccc4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4ccc(Br)cc4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4ccc5cccnc5c4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4cccc(Br)c4n3)cc1)C1C=C[C@H]2C1.O=C1[C@@H]2[C@H](C(=O)N1c1ccc(-c3ncc4ccccc4n3)cc1)C1C=C[C@H]2C1.

What is the InChIKey of (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

The InChIKey is NOLASMQXELMUKB-IZRYYSJUSA-N. The full InChI is InChI=1S/C26H18N4O2.3C23H16BrN3O2.C23H17N3O2.C22H20N2O5S/c31-25-20-16-4-5-17(12-16)21(20)26(32)30(25)19-9-7-15(8-10-19)24-28-13-18-6-3-14-2-1-11-27-22(14)23(18)29-24;24-16-6-3-15-11-25-21(26-18(15)10-16)12-4-7-17(8-5-12)27-22(28)19-13-1-2-14(9-13)20(19)23(27)29;24-16-5-8-18-15(10-16)11-25-21(26-18)12-3-6-17(7-4-12)27-22(28)19-13-1-2-14(9-13)20(19)23(27)29;24-17-3-1-2-15-11-25-21(26-20(15)17)12-6-8-16(9-7-12)27-22(28)18-13-4-5-14(10-13)19(18)23(27)29;27-22-19-14-5-6-15(11-14)20(19)23(28)26(22)17-9-7-13(8-10-17)21-24-12-16-3-1-2-4-18(16)25-21;1-29-17-8-4-15(5-9-17)23-30(27,28)18-10-6-16(7-11-18)24-21(25)19-13-2-3-14(12-13)20(19)22(24)26/h1-11,13,16-17,20-21H,12H2;2*1-8,10-11,13-14,19-20H,9H2;1-9,11,13-14,18-19H,10H2;1-10,12,14-15,19-20H,11H2;2-11,13-14,19-20,23H,12H2,1H3/t16-,17?,20-,21+;2*13-,14?,19-,20+;13-,14?,18-,19+;14-,15?,19-,20+;13-,14?,19-,20+/m000000/s1.

What are the key properties of (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?

(2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 2549.25 g/mol, XLogP of 23.68, 15 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S,7R)-4-[4-(6-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(7-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-[4-(8-bromoquinazolin-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;4-[(2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-methoxyphenyl)benzenesulfonamide;(2R,6S,7R)-4-(4-pyrido[3,2-h]quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione;(2R,6S,7R)-4-(4-quinazolin-2-ylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 159838964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).