[5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine

C124H121BCl2F4N20O12 — CID 159998544

About [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine

[5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine (PubChem CID 159998544) has the molecular formula C124H121BCl2F4N20O12 and a molecular weight of 2241.17 g/mol. Its IUPAC name is [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine
• PubChem CID: 159998544
• Molecular Formula: C124H121BCl2F4N20O12
• Molecular Weight: 2241.17 g/mol
• Exact Mass: 2238.89
• IUPAC Name: [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine
• SMILES: CC(C)(C)OC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cn23)c(OC)c1.Nc1nc2c(F)cccc2c2nc(Cc3ccc4c(c3)CN(C(=O)c3ccccc3)C4)cn12.Nc1nc2c(F)cccc2c2nc(Cc3ccc4c(c3)CNC4)cn12.O=C(Cl)c1ccccc1
• InChI: InChI=1S/C33H34FN5O4.C26H20FN5O.C20H18ClFN4O2.C19H28BNO4.C19H16FN5.C7H5ClO/c1-33(2,3)43-32(40)38-17-22-10-9-20(13-23(22)18-38)14-24-19-39-30(36-24)26-7-6-8-27(34)29(26)37-31(39)35-16-21-11-12-25(41-4)15-28(21)42-5;27-22-8-4-7-21-23(22)30-26(28)32-15-20(29-24(21)32)12-16-9-10-18-13-31(14-19(18)11-16)25(33)17-5-2-1-3-6-17;1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20;1-17(2,3)23-16(22)21-11-13-8-9-15(10-14(13)12-21)20-24-18(4,5)19(6,7)25-20;20-16-3-1-2-15-17(16)24-19(21)25-10-14(23-18(15)25)7-11-4-5-12-8-22-9-13(12)6-11;8-7(9)6-4-2-1-3-5-6/h6-13,15,19H,14,16-18H2,1-5H3,(H,35,37);1-11,15H,12-14H2,(H2,28,30);3-8,11H,9-10H2,1-2H3,(H,23,25);8-10H,11-12H2,1-7H3;1-6,10,22H,7-9H2,(H2,21,24);1-5H
• InChIKey: OHWBZARRUCSIDC-UHFFFAOYSA-N
• XLogP: 23.33
• TPSA: 360.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.17
LogP ≤ 5	23.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine?

The IUPAC name of [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine (CID 159998544) is [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine.

What is the SMILES notation for [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine?

The canonical SMILES for [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine is CC(C)(C)OC(=O)N1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(Cc4ccc5c(c4)CN(C(=O)OC(C)(C)C)C5)cn23)c(OC)c1.Nc1nc2c(F)cccc2c2nc(Cc3ccc4c(c3)CN(C(=O)c3ccccc3)C4)cn12.Nc1nc2c(F)cccc2c2nc(Cc3ccc4c(c3)CNC4)cn12.O=C(Cl)c1ccccc1.

What is the InChIKey of [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine?

The InChIKey is OHWBZARRUCSIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34FN5O4.C26H20FN5O.C20H18ClFN4O2.C19H28BNO4.C19H16FN5.C7H5ClO/c1-33(2,3)43-32(40)38-17-22-10-9-20(13-23(22)18-38)14-24-19-39-30(36-24)26-7-6-8-27(34)29(26)37-31(39)35-16-21-11-12-25(41-4)15-28(21)42-5;27-22-8-4-7-21-23(22)30-26(28)32-15-20(29-24(21)32)12-16-9-10-18-13-31(14-19(18)11-16)25(33)17-5-2-1-3-6-17;1-27-14-7-6-12(17(8-14)28-2)10-23-20-25-18-15(4-3-5-16(18)22)19-24-13(9-21)11-26(19)20;1-17(2,3)23-16(22)21-11-13-8-9-15(10-14(13)12-21)20-24-18(4,5)19(6,7)25-20;20-16-3-1-2-15-17(16)24-19(21)25-10-14(23-18(15)25)7-11-4-5-12-8-22-9-13(12)6-11;8-7(9)6-4-2-1-3-5-6/h6-13,15,19H,14,16-18H2,1-5H3,(H,35,37);1-11,15H,12-14H2,(H2,28,30);3-8,11H,9-10H2,1-2H3,(H,23,25);8-10H,11-12H2,1-7H3;1-6,10,22H,7-9H2,(H2,21,24);1-5H.

What are the key properties of [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine?

[5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 2241.17 g/mol, XLogP of 23.33, 20 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[(5-amino-7-fluoroimidazo[1,2-c]quinazolin-2-yl)methyl]-1,3-dihydroisoindol-2-yl]-phenylmethanone;benzoyl chloride;tert-butyl 5-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-1,3-dihydroisoindole-2-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole-2-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-(2,3-dihydro-1H-isoindol-5-ylmethyl)-7-fluoroimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 159998544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).