tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine

C112H134BClF4N20O14 — CID 158093366

About tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine

tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine (PubChem CID 158093366) has the molecular formula C112H134BClF4N20O14 and a molecular weight of 2106.69 g/mol. Its IUPAC name is tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine
• PubChem CID: 158093366
• Molecular Formula: C112H134BClF4N20O14
• Molecular Weight: 2106.69 g/mol
• Exact Mass: 2105.01
• IUPAC Name: tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine
• SMILES: CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CC4=CCN(C(=O)OC(C)(C)C)CC4)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CC4CCN(C(=O)OC(C)(C)C)CC4)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.Nc1nc2c(F)cccc2c2nc(CC3CCNCC3)cn12
• InChI: InChI=1S/C30H36FN5O4.C30H34FN5O4.C20H18ClFN4O2.C16H28BNO4.C16H18FN5/c2*1-30(2,3)40-29(37)35-13-11-19(12-14-35)15-21-18-36-27(33-21)23-7-6-8-24(31)26(23)34-28(36)32-17-20-9-10-22(38-4)16-25(20)39-5;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;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;17-13-3-1-2-12-14(13)21-16(18)22-9-11(20-15(12)22)8-10-4-6-19-7-5-10/h6-10,16,18-19H,11-15,17H2,1-5H3,(H,32,34);6-11,16,18H,12-15,17H2,1-5H3,(H,32,34);3-8,11H,9-10H2,1-2H3,(H,23,25);8H,9-11H2,1-7H3;1-3,9-10,19H,4-8H2,(H2,18,21)
• InChIKey: FOJKPZZXRSDXLB-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 357.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2106.69
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine?

The IUPAC name of tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine (CID 158093366) is tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine.

What is the SMILES notation for tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine?

The canonical SMILES for tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CC4=CCN(C(=O)OC(C)(C)C)CC4)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CC4CCN(C(=O)OC(C)(C)C)CC4)cn23)c(OC)c1.COc1ccc(CNc2nc3c(F)cccc3c3nc(CCl)cn23)c(OC)c1.Nc1nc2c(F)cccc2c2nc(CC3CCNCC3)cn12.

What is the InChIKey of tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine?

The InChIKey is FOJKPZZXRSDXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN5O4.C30H34FN5O4.C20H18ClFN4O2.C16H28BNO4.C16H18FN5/c2*1-30(2,3)40-29(37)35-13-11-19(12-14-35)15-21-18-36-27(33-21)23-7-6-8-24(31)26(23)34-28(36)32-17-20-9-10-22(38-4)16-25(20)39-5;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;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;17-13-3-1-2-12-14(13)21-16(18)22-9-11(20-15(12)22)8-10-4-6-19-7-5-10/h6-10,16,18-19H,11-15,17H2,1-5H3,(H,32,34);6-11,16,18H,12-15,17H2,1-5H3,(H,32,34);3-8,11H,9-10H2,1-2H3,(H,23,25);8H,9-11H2,1-7H3;1-3,9-10,19H,4-8H2,(H2,18,21).

What are the key properties of tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine?

tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine has a molecular weight of 2106.69 g/mol, XLogP of 21.32, 23 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[[5-[(2,4-dimethoxyphenyl)methylamino]-7-fluoroimidazo[1,2-c]quinazolin-2-yl]methyl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(chloromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine;7-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 158093366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).