8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride

C62H73BBr2Cl2F3N13O7 — CID 158515320

About 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride

8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride (PubChem CID 158515320) has the molecular formula C62H73BBr2Cl2F3N13O7 and a molecular weight of 1410.87 g/mol. Its IUPAC name is 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride.

Molecular Properties

• Compound Name: 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride
• PubChem CID: 158515320
• Molecular Formula: C62H73BBr2Cl2F3N13O7
• Molecular Weight: 1410.87 g/mol
• Exact Mass: 1407.35
• IUPAC Name: 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride
• SMILES: CC1(N)CCC1.C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C)c(NC5(C)CCC5)nc34)[nH]c21.C[C@H]1NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)[nH]c21.Cl.Cn1c(Cl)nc2c(Br)c(F)ccc2c1=O.Cn1c(NC2(C)CCC2)nc2c(Br)c(F)ccc2c1=O
• InChI: InChI=1S/C21H22FN5O2.C14H15BrFN3O.C13H19BN2O3.C9H5BrClFN2O.C5H11N.ClH/c1-10-16-12(18(28)23-10)9-14(24-16)15-13(22)6-5-11-17(15)25-20(27(3)19(11)29)26-21(2)7-4-8-21;1-14(6-3-7-14)18-13-17-11-8(12(20)19(13)2)4-5-9(16)10(11)15;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;1-14-8(15)4-2-3-5(12)6(10)7(4)13-9(14)11;1-5(6)3-2-4-5;/h5-6,9-10,24H,4,7-8H2,1-3H3,(H,23,28)(H,25,26);4-5H,3,6-7H2,1-2H3,(H,17,18);6-7,16H,1-5H3,(H,15,17);2-3H,1H3;2-4,6H2,1H3;1H/t10-;;7-;;;/m1.1.../s1
• InChIKey: UVFAFZJXXCDYLF-IRWVEKCWSA-N
• XLogP: 11.33
• TPSA: 262.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1410.87
LogP ≤ 5	11.33
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-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride?

The IUPAC name of 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride (CID 158515320) is 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride.

What is the SMILES notation for 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride?

The canonical SMILES for 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride is CC1(N)CCC1.C[C@H]1NC(=O)c2cc(-c3c(F)ccc4c(=O)n(C)c(NC5(C)CCC5)nc34)[nH]c21.C[C@H]1NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)[nH]c21.Cl.Cn1c(Cl)nc2c(Br)c(F)ccc2c1=O.Cn1c(NC2(C)CCC2)nc2c(Br)c(F)ccc2c1=O.

What is the InChIKey of 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride?

The InChIKey is UVFAFZJXXCDYLF-IRWVEKCWSA-N. The full InChI is InChI=1S/C21H22FN5O2.C14H15BrFN3O.C13H19BN2O3.C9H5BrClFN2O.C5H11N.ClH/c1-10-16-12(18(28)23-10)9-14(24-16)15-13(22)6-5-11-17(15)25-20(27(3)19(11)29)26-21(2)7-4-8-21;1-14(6-3-7-14)18-13-17-11-8(12(20)19(13)2)4-5-9(16)10(11)15;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;1-14-8(15)4-2-3-5(12)6(10)7(4)13-9(14)11;1-5(6)3-2-4-5;/h5-6,9-10,24H,4,7-8H2,1-3H3,(H,23,28)(H,25,26);4-5H,3,6-7H2,1-2H3,(H,17,18);6-7,16H,1-5H3,(H,15,17);2-3H,1H3;2-4,6H2,1H3;1H/t10-;;7-;;;/m1.1.../s1.

What are the key properties of 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride?

8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride has a molecular weight of 1410.87 g/mol, XLogP of 11.33, 6 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-chloro-7-fluoro-3-methylquinazolin-4-one;8-bromo-7-fluoro-3-methyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;7-fluoro-3-methyl-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;hydrochloride is sourced from PubChem (CID 158515320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).