2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine

C92H104Br6Cl3I2N23O9 — CID 160517088

About 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine

2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine (PubChem CID 160517088) has the molecular formula C92H104Br6Cl3I2N23O9 and a molecular weight of 2515.59 g/mol. Its IUPAC name is 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine.

Molecular Properties

• Compound Name: 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine
• PubChem CID: 160517088
• Molecular Formula: C92H104Br6Cl3I2N23O9
• Molecular Weight: 2515.59 g/mol
• Exact Mass: 2507.06
• IUPAC Name: 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine
• SMILES: C.C.CN1CCN(c2nc(NCCN3CCOCC3)c3cc(-c4ccccc4)ccc3n2)CC1.CN1CCN(c2nc(NCCN3CCOCC3)c3cc(Br)ccc3n2)CC1.Clc1nc(Cl)c2cc(Br)ccc2n1.Clc1nc(NCCN2CCOCC2)c2cc(Br)ccc2n1.ICI.NC(=O)c1cc(Br)ccc1N.O=c1[nH]c(=O)c2cc(Br)ccc2[nH]1.O=c1[nH]c2ccc(Br)cc2c(=O)o1
• InChI: InChI=1S/C25H32N6O.C19H27BrN6O.C14H16BrClN4O.C8H3BrCl2N2.C8H5BrN2O2.C8H4BrNO3.C7H7BrN2O.CH2I2.2CH4/c1-29-11-13-31(14-12-29)25-27-23-8-7-21(20-5-3-2-4-6-20)19-22(23)24(28-25)26-9-10-30-15-17-32-18-16-30;1-24-6-8-26(9-7-24)19-22-17-3-2-15(20)14-16(17)18(23-19)21-4-5-25-10-12-27-13-11-25;15-10-1-2-12-11(9-10)13(19-14(16)18-12)17-3-4-20-5-7-21-8-6-20;9-4-1-2-6-5(3-4)7(10)13-8(11)12-6;9-4-1-2-6-5(3-4)7(12)11-8(13)10-6;9-4-1-2-6-5(3-4)7(11)13-8(12)10-6;8-4-1-2-6(9)5(3-4)7(10)11;2-1-3;;/h2-8,19H,9-18H2,1H3,(H,26,27,28);2-3,14H,4-13H2,1H3,(H,21,22,23);1-2,9H,3-8H2,(H,17,18,19);1-3H;1-3H,(H2,10,11,12,13);1-3H,(H,10,12);1-3H,9H2,(H2,10,11);1H2;2*1H4
• InChIKey: QTUJCIAZZRQRBF-UHFFFAOYSA-N
• XLogP: 17.61
• TPSA: 387.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2515.59
LogP ≤ 5	17.61
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine?

The IUPAC name of 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine (CID 160517088) is 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine.

What is the SMILES notation for 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine?

The canonical SMILES for 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine is C.C.CN1CCN(c2nc(NCCN3CCOCC3)c3cc(-c4ccccc4)ccc3n2)CC1.CN1CCN(c2nc(NCCN3CCOCC3)c3cc(Br)ccc3n2)CC1.Clc1nc(Cl)c2cc(Br)ccc2n1.Clc1nc(NCCN2CCOCC2)c2cc(Br)ccc2n1.ICI.NC(=O)c1cc(Br)ccc1N.O=c1[nH]c(=O)c2cc(Br)ccc2[nH]1.O=c1[nH]c2ccc(Br)cc2c(=O)o1.

What is the InChIKey of 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine?

The InChIKey is QTUJCIAZZRQRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O.C19H27BrN6O.C14H16BrClN4O.C8H3BrCl2N2.C8H5BrN2O2.C8H4BrNO3.C7H7BrN2O.CH2I2.2CH4/c1-29-11-13-31(14-12-29)25-27-23-8-7-21(20-5-3-2-4-6-20)19-22(23)24(28-25)26-9-10-30-15-17-32-18-16-30;1-24-6-8-26(9-7-24)19-22-17-3-2-15(20)14-16(17)18(23-19)21-4-5-25-10-12-27-13-11-25;15-10-1-2-12-11(9-10)13(19-14(16)18-12)17-3-4-20-5-7-21-8-6-20;9-4-1-2-6-5(3-4)7(10)13-8(11)12-6;9-4-1-2-6-5(3-4)7(12)11-8(13)10-6;9-4-1-2-6-5(3-4)7(11)13-8(12)10-6;8-4-1-2-6(9)5(3-4)7(10)11;2-1-3;;/h2-8,19H,9-18H2,1H3,(H,26,27,28);2-3,14H,4-13H2,1H3,(H,21,22,23);1-2,9H,3-8H2,(H,17,18,19);1-3H;1-3H,(H2,10,11,12,13);1-3H,(H,10,12);1-3H,9H2,(H2,10,11);1H2;2*1H4.

What are the key properties of 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine?

2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine has a molecular weight of 2515.59 g/mol, XLogP of 17.61, 16 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromobenzamide;6-bromo-1H-3,1-benzoxazine-2,4-dione;6-bromo-2-chloro-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-2,4-dichloroquinazoline;6-bromo-2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine;6-bromo-1H-quinazoline-2,4-dione;diiodomethane;methane;2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-6-phenylquinazolin-4-amine is sourced from PubChem (CID 160517088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).