8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C58H72BBr2N13O4 — CID 159929073

About 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 159929073) has the molecular formula C58H72BBr2N13O4 and a molecular weight of 1185.92 g/mol. Its IUPAC name is 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 159929073
• Molecular Formula: C58H72BBr2N13O4
• Molecular Weight: 1185.92 g/mol
• Exact Mass: 1183.43
• IUPAC Name: 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: CC(C)(C)Nc1ncc2cccc(Br)c2n1.CC1(C)OB(c2cc3c([nH]2)CCNC3=O)OC1(C)C.CN(c1ncc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1)C(C)(C)C.CN(c1ncc2cccc(Br)c2n1)C(C)(C)C
• InChI: InChI=1S/C20H23N5O.C13H19BN2O3.C13H16BrN3.C12H14BrN3/c1-20(2,3)25(4)19-22-11-12-6-5-7-13(17(12)24-19)16-10-14-15(23-16)8-9-21-18(14)26;1-12(2)13(3,4)19-14(18-12)10-7-8-9(16-10)5-6-15-11(8)17;1-13(2,3)17(4)12-15-8-9-6-5-7-10(14)11(9)16-12;1-12(2,3)16-11-14-7-8-5-4-6-9(13)10(8)15-11/h5-7,10-11,23H,8-9H2,1-4H3,(H,21,26);7,16H,5-6H2,1-4H3,(H,15,17);5-8H,1-4H3;4-7H,1-3H3,(H,14,15,16)
• InChIKey: NZKCSGVZRKRDBQ-UHFFFAOYSA-N
• XLogP: 10.98
• TPSA: 204.09 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1185.92
LogP ≤ 5	10.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 159929073) is 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)(C)Nc1ncc2cccc(Br)c2n1.CC1(C)OB(c2cc3c([nH]2)CCNC3=O)OC1(C)C.CN(c1ncc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1)C(C)(C)C.CN(c1ncc2cccc(Br)c2n1)C(C)(C)C.

What is the InChIKey of 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is NZKCSGVZRKRDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O.C13H19BN2O3.C13H16BrN3.C12H14BrN3/c1-20(2,3)25(4)19-22-11-12-6-5-7-13(17(12)24-19)16-10-14-15(23-16)8-9-21-18(14)26;1-12(2)13(3,4)19-14(18-12)10-7-8-9(16-10)5-6-15-11(8)17;1-13(2,3)17(4)12-15-8-9-6-5-7-10(14)11(9)16-12;1-12(2,3)16-11-14-7-8-5-4-6-9(13)10(8)15-11/h5-7,10-11,23H,8-9H2,1-4H3,(H,21,26);7,16H,5-6H2,1-4H3,(H,15,17);5-8H,1-4H3;4-7H,1-3H3,(H,14,15,16).

What are the key properties of 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 1185.92 g/mol, XLogP of 10.98, 5 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-N-tert-butyl-N-methylquinazolin-2-amine;8-bromo-N-tert-butylquinazolin-2-amine;2-[2-[tert-butyl(methyl)amino]quinazolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 159929073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).