8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride

C71H91BBr2Cl2N14O7 — CID 161026324

About 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride

8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride (PubChem CID 161026324) has the molecular formula C71H91BBr2Cl2N14O7 and a molecular weight of 1494.13 g/mol. Its IUPAC name is 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride.

Molecular Properties

• Compound Name: 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride
• PubChem CID: 161026324
• Molecular Formula: C71H91BBr2Cl2N14O7
• Molecular Weight: 1494.13 g/mol
• Exact Mass: 1490.50
• IUPAC Name: 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride
• SMILES: CC1(N)CC1.CC1(Nc2nc3c(Br)cccc3c(=O)n2C2CC2)CC1.CCN(CC)CC.C[C@H]1NC(=O)c2cc(-c3cccc4c(=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.Cl.O=c1c2cccc(Br)c2nc(Cl)n1C1CC1
• InChI: InChI=1S/C22H23N5O2.C15H16BrN3O.C13H19BN2O3.C11H8BrClN2O.C6H15N.C4H9N.ClH/c1-11-17-15(19(28)23-11)10-16(24-17)13-4-3-5-14-18(13)25-21(26-22(2)8-9-22)27(20(14)29)12-6-7-12;1-15(7-8-15)18-14-17-12-10(3-2-4-11(12)16)13(20)19(14)9-5-6-9;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;12-8-3-1-2-7-9(8)14-11(13)15(10(7)16)6-4-5-6;1-4-7(5-2)6-3;1-4(5)2-3-4;/h3-5,10-12,24H,6-9H2,1-2H3,(H,23,28)(H,25,26);2-4,9H,5-8H2,1H3,(H,17,18);6-7,16H,1-5H3,(H,15,17);1-3,6H,4-5H2;4-6H2,1-3H3;2-3,5H2,1H3;1H/t11-;;7-;;;;/m1.1..../s1
• InChIKey: TYYDZICYISSUHE-UWVKPGCUSA-N
• XLogP: 13.49
• TPSA: 266.23 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1494.13
LogP ≤ 5	13.49
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-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride?

The IUPAC name of 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride (CID 161026324) is 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride.

What is the SMILES notation for 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride?

The canonical SMILES for 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride is CC1(N)CC1.CC1(Nc2nc3c(Br)cccc3c(=O)n2C2CC2)CC1.CCN(CC)CC.C[C@H]1NC(=O)c2cc(-c3cccc4c(=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.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-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride?

The InChIKey is TYYDZICYISSUHE-UWVKPGCUSA-N. The full InChI is InChI=1S/C22H23N5O2.C15H16BrN3O.C13H19BN2O3.C11H8BrClN2O.C6H15N.C4H9N.ClH/c1-11-17-15(19(28)23-11)10-16(24-17)13-4-3-5-14-18(13)25-21(26-22(2)8-9-22)27(20(14)29)12-6-7-12;1-15(7-8-15)18-14-17-12-10(3-2-4-11(12)16)13(20)19(14)9-5-6-9;1-7-10-8(11(17)15-7)6-9(16-10)14-18-12(2,3)13(4,5)19-14;12-8-3-1-2-7-9(8)14-11(13)15(10(7)16)6-4-5-6;1-4-7(5-2)6-3;1-4(5)2-3-4;/h3-5,10-12,24H,6-9H2,1-2H3,(H,23,28)(H,25,26);2-4,9H,5-8H2,1H3,(H,17,18);6-7,16H,1-5H3,(H,15,17);1-3,6H,4-5H2;4-6H2,1-3H3;2-3,5H2,1H3;1H/t11-;;7-;;;;/m1.1..../s1.

What are the key properties of 8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride?

8-bromo-2-chloro-3-cyclopropylquinazolin-4-one;8-bromo-3-cyclopropyl-2-[(1-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride has a molecular weight of 1494.13 g/mol, XLogP of 13.49, 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-methylcyclopropyl)amino]quinazolin-4-one;3-cyclopropyl-2-[(1-methylcyclopropyl)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-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;hydrochloride is sourced from PubChem (CID 161026324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).