8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

C65H72BBr2ClF3N13O7 — CID 157297057

About 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one

8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (PubChem CID 157297057) has the molecular formula C65H72BBr2ClF3N13O7 and a molecular weight of 1410.44 g/mol. Its IUPAC name is 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

Molecular Properties

• Compound Name: 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
• PubChem CID: 157297057
• Molecular Formula: C65H72BBr2ClF3N13O7
• Molecular Weight: 1410.44 g/mol
• Exact Mass: 1407.38
• IUPAC Name: 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
• SMILES: CC1(N)CC1.CC1(Nc2nc3c(Br)c(F)ccc3c(=O)n2C2CC2)CC1.C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C5CC5)c(NC5(C)CC5)nc34)[nH]c21.C[C@H]1NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)[nH]c21.O=c1c2ccc(F)c(Br)c2nc(Cl)n1C1CC1
• InChI: InChI=1S/C22H22FN5O2.C15H15BrFN3O.C13H19BN2O3.C11H7BrClFN2O.C4H9N/c1-10-17-13(19(29)24-10)9-15(25-17)16-14(23)6-5-12-18(16)26-21(27-22(2)7-8-22)28(20(12)30)11-3-4-11;1-15(6-7-15)19-14-18-12-9(4-5-10(17)11(12)16)13(21)20(14)8-2-3-8;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;12-8-7(14)4-3-6-9(8)15-11(13)16(10(6)17)5-1-2-5;1-4(5)2-3-4/h5-6,9-11,25H,3-4,7-8H2,1-2H3,(H,24,29)(H,26,27);4-5,8H,2-3,6-7H2,1H3,(H,18,19);6-7,16H,1-5H3,(H,15,17);3-5H,1-2H2;2-3,5H2,1H3/t10-;;7-;;/m1.1../s1
• InChIKey: BBLSRCQDJLAXRX-DWOXJHHZSA-N
• XLogP: 12.13
• TPSA: 262.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1410.44
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

The IUPAC name of 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one (CID 157297057) is 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one.

What is the SMILES notation for 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

The canonical SMILES for 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is CC1(N)CC1.CC1(Nc2nc3c(Br)c(F)ccc3c(=O)n2C2CC2)CC1.C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C5CC5)c(NC5(C)CC5)nc34)[nH]c21.C[C@H]1NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)[nH]c21.O=c1c2ccc(F)c(Br)c2nc(Cl)n1C1CC1.

What is the InChIKey of 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

The InChIKey is BBLSRCQDJLAXRX-DWOXJHHZSA-N. The full InChI is InChI=1S/C22H22FN5O2.C15H15BrFN3O.C13H19BN2O3.C11H7BrClFN2O.C4H9N/c1-10-17-13(19(29)24-10)9-15(25-17)16-14(23)6-5-12-18(16)26-21(27-22(2)7-8-22)28(20(12)30)11-3-4-11;1-15(6-7-15)19-14-18-12-9(4-5-10(17)11(12)16)13(21)20(14)8-2-3-8;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;12-8-7(14)4-3-6-9(8)15-11(13)16(10(6)17)5-1-2-5;1-4(5)2-3-4/h5-6,9-11,25H,3-4,7-8H2,1-2H3,(H,24,29)(H,26,27);4-5,8H,2-3,6-7H2,1H3,(H,18,19);6-7,16H,1-5H3,(H,15,17);3-5H,1-2H2;2-3,5H2,1H3/t10-;;7-;;/m1.1../s1.

What are the key properties of 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one?

8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one has a molecular weight of 1410.44 g/mol, XLogP of 12.13, 9 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclopropan-1-amine;(6R)-6-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one is sourced from PubChem (CID 157297057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).