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

C68H78BBr2ClF3N13O7 — CID 159693441

About 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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 159693441) has the molecular formula C68H78BBr2ClF3N13O7 and a molecular weight of 1452.52 g/mol. Its IUPAC name is 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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: 159693441
• Molecular Formula: C68H78BBr2ClF3N13O7
• Molecular Weight: 1452.52 g/mol
• Exact Mass: 1449.42
• IUPAC Name: 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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)CCC1.CC1(Nc2nc3c(Br)c(F)ccc3c(=O)n2C2CC2)CCC1.C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C5CC5)c(NC5(C)CCC5)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/C23H24FN5O2.C16H17BrFN3O.C13H19BN2O3.C11H7BrClFN2O.C5H11N/c1-11-18-14(20(30)25-11)10-16(26-18)17-15(24)7-6-13-19(17)27-22(28-23(2)8-3-9-23)29(21(13)31)12-4-5-12;1-16(7-2-8-16)20-15-19-13-10(5-6-11(18)12(13)17)14(22)21(15)9-3-4-9;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;1-5(6)3-2-4-5/h6-7,10-12,26H,3-5,8-9H2,1-2H3,(H,25,30)(H,27,28);5-6,9H,2-4,7-8H2,1H3,(H,19,20);6-7,16H,1-5H3,(H,15,17);3-5H,1-2H2;2-4,6H2,1H3/t11-;;7-;;/m1.1../s1
• InChIKey: MWRXBEHUGRQHCR-FCECFVSWSA-N
• XLogP: 13.30
• TPSA: 262.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1452.52
LogP ≤ 5	13.30
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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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 159693441) is 8-bromo-2-chloro-3-cyclopropyl-7-fluoroquinazolin-4-one;8-bromo-3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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)CCC1.CC1(Nc2nc3c(Br)c(F)ccc3c(=O)n2C2CC2)CCC1.C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C5CC5)c(NC5(C)CCC5)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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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 MWRXBEHUGRQHCR-FCECFVSWSA-N. The full InChI is InChI=1S/C23H24FN5O2.C16H17BrFN3O.C13H19BN2O3.C11H7BrClFN2O.C5H11N/c1-11-18-14(20(30)25-11)10-16(26-18)17-15(24)7-6-13-19(17)27-22(28-23(2)8-3-9-23)29(21(13)31)12-4-5-12;1-16(7-2-8-16)20-15-19-13-10(5-6-11(18)12(13)17)14(22)21(15)9-3-4-9;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;1-5(6)3-2-4-5/h6-7,10-12,26H,3-5,8-9H2,1-2H3,(H,25,30)(H,27,28);5-6,9H,2-4,7-8H2,1H3,(H,19,20);6-7,16H,1-5H3,(H,15,17);3-5H,1-2H2;2-4,6H2,1H3/t11-;;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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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 1452.52 g/mol, XLogP of 13.30, 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-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-7-fluoro-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;1-methylcyclobutan-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 159693441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).