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

C74H97BBr2Cl2N14O7 — CID 158522911

About 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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 158522911) has the molecular formula C74H97BBr2Cl2N14O7 and a molecular weight of 1536.21 g/mol. Its IUPAC name is 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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: 158522911
• Molecular Formula: C74H97BBr2Cl2N14O7
• Molecular Weight: 1536.21 g/mol
• Exact Mass: 1532.55
• IUPAC Name: 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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.CC1(Nc2nc3c(Br)cccc3c(=O)n2C2CC2)CCC1.CCN(CC)CC.C[C@H]1NC(=O)c2cc(-c3cccc4c(=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.Cl.O=c1c2cccc(Br)c2nc(Cl)n1C1CC1
• InChI: InChI=1S/C23H25N5O2.C16H18BrN3O.C13H19BN2O3.C11H8BrClN2O.C6H15N.C5H11N.ClH/c1-12-18-16(20(29)24-12)11-17(25-18)14-5-3-6-15-19(14)26-22(27-23(2)9-4-10-23)28(21(15)30)13-7-8-13;1-16(8-3-9-16)19-15-18-13-11(4-2-5-12(13)17)14(21)20(15)10-6-7-10;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;12-8-3-1-2-7-9(8)14-11(13)15(10(7)16)6-4-5-6;1-4-7(5-2)6-3;1-5(6)3-2-4-5;/h3,5-6,11-13,25H,4,7-10H2,1-2H3,(H,24,29)(H,26,27);2,4-5,10H,3,6-9H2,1H3,(H,18,19);6-7,16H,1-5H3,(H,15,17);1-3,6H,4-5H2;4-6H2,1-3H3;2-4,6H2,1H3;1H/t12-;;7-;;;;/m1.1..../s1
• InChIKey: QVFKDJNFPXBCTL-HBLMUSAGSA-N
• XLogP: 14.66
• TPSA: 266.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1536.21
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	17

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-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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 158522911) is 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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.CC1(Nc2nc3c(Br)cccc3c(=O)n2C2CC2)CCC1.CCN(CC)CC.C[C@H]1NC(=O)c2cc(-c3cccc4c(=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.Cl.O=c1c2cccc(Br)c2nc(Cl)n1C1CC1.

What is the InChIKey of 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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 QVFKDJNFPXBCTL-HBLMUSAGSA-N. The full InChI is InChI=1S/C23H25N5O2.C16H18BrN3O.C13H19BN2O3.C11H8BrClN2O.C6H15N.C5H11N.ClH/c1-12-18-16(20(29)24-12)11-17(25-18)14-5-3-6-15-19(14)26-22(27-23(2)9-4-10-23)28(21(15)30)13-7-8-13;1-16(8-3-9-16)19-15-18-13-11(4-2-5-12(13)17)14(21)20(15)10-6-7-10;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;12-8-3-1-2-7-9(8)14-11(13)15(10(7)16)6-4-5-6;1-4-7(5-2)6-3;1-5(6)3-2-4-5;/h3,5-6,11-13,25H,4,7-10H2,1-2H3,(H,24,29)(H,26,27);2,4-5,10H,3,6-9H2,1H3,(H,18,19);6-7,16H,1-5H3,(H,15,17);1-3,6H,4-5H2;4-6H2,1-3H3;2-4,6H2,1H3;1H/t12-;;7-;;;;/m1.1..../s1.

What are the key properties of 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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 1536.21 g/mol, XLogP of 14.66, 12 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclobutyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclobutyl)amino]-8-[(6R)-6-methyl-4-oxo-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4-one;N,N-diethylethanamine;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 158522911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).