(1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole

C80H103BBrN8O12P — CID 160651476

About (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole

(1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole (PubChem CID 160651476) has the molecular formula C80H103BBrN8O12P and a molecular weight of 1490.44 g/mol. Its IUPAC name is (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole.

Molecular Properties

• Compound Name: (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
• PubChem CID: 160651476
• Molecular Formula: C80H103BBrN8O12P
• Molecular Weight: 1490.44 g/mol
• Exact Mass: 1488.67
• IUPAC Name: (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole
• SMILES: COc1cc2c(cc1O)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cc2c(cc1O)-n1c(Br)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)c1
• InChI: InChI=1S/C26H35O2P.C24H28N4O4.C19H22BrN3O4.C11H18BNO2/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-24(2)14-32-10-9-27(24)23(30)21-17-6-5-15-11-20(31-4)19(29)12-18(15)28(17)22(25-21)16-7-8-26(3)13-16;1-19(2)10-27-7-6-22(19)17(25)16-12-5-4-11-8-15(26-3)14(24)9-13(11)23(12)18(20)21-16;1-10(2)11(3,4)15-12(14-10)9-6-7-13(5)8-9/h9-11,16-21H,3-8,12-15H2,1-2H3;7-8,11-13,29H,5-6,9-10,14H2,1-4H3;8-9,24H,4-7,10H2,1-3H3;6-8H,1-5H3
• InChIKey: RKMBZYIJOCISMM-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 200.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1490.44
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?

The IUPAC name of (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole (CID 160651476) is (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole.

What is the SMILES notation for (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?

The canonical SMILES for (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole is COc1cc2c(cc1O)-n1c(-c3ccn(C)c3)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cc2c(cc1O)-n1c(Br)nc(C(=O)N3CCOCC3(C)C)c1CC2.COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)c1.

What is the InChIKey of (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?

The InChIKey is RKMBZYIJOCISMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35O2P.C24H28N4O4.C19H22BrN3O4.C11H18BNO2/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21;1-24(2)14-32-10-9-27(24)23(30)21-17-6-5-15-11-20(31-4)19(29)12-18(15)28(17)22(25-21)16-7-8-26(3)13-16;1-19(2)10-27-7-6-22(19)17(25)16-12-5-4-11-8-15(26-3)14(24)9-13(11)23(12)18(20)21-16;1-10(2)11(3,4)15-12(14-10)9-6-7-13(5)8-9/h9-11,16-21H,3-8,12-15H2,1-2H3;7-8,11-13,29H,5-6,9-10,14H2,1-4H3;8-9,24H,4-7,10H2,1-3H3;6-8H,1-5H3.

What are the key properties of (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole?

(1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole has a molecular weight of 1490.44 g/mol, XLogP of 14.11, 12 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (1-bromo-8-hydroxy-7-methoxy-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)-(3,3-dimethylmorpholin-4-yl)methanone;dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;(3,3-dimethylmorpholin-4-yl)-[8-hydroxy-7-methoxy-1-(1-methylpyrrol-3-yl)-4,5-dihydroimidazo[1,5-a]quinolin-3-yl]methanone;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole is sourced from PubChem (CID 160651476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).