sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine

C77H88BrN14NaO5 — CID 157163740

About sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine

sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine (PubChem CID 157163740) has the molecular formula C77H88BrN14NaO5 and a molecular weight of 1392.54 g/mol. Its IUPAC name is sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine.

Molecular Properties

• Compound Name: sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine
• PubChem CID: 157163740
• Molecular Formula: C77H88BrN14NaO5
• Molecular Weight: 1392.54 g/mol
• Exact Mass: 1390.61
• IUPAC Name: sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine
• SMILES: C.C1COCCN1.CN(C)c1nc(-c2cccc(N3CCOCC3)c2)nc2ccccc12.COc1ccc(Br)cc1-c1nc(N(C)C)c2ccccc2n1.COc1ccccc1-c1nc(N(C)C)c2ccccc2n1.COc1ccccc1-c1nc(N(C)C)c2ccccc2n1.[CH3-].[Na+]
• InChI: InChI=1S/C20H22N4O.C17H16BrN3O.2C17H17N3O.C4H9NO.CH4.CH3.Na/c1-23(2)20-17-8-3-4-9-18(17)21-19(22-20)15-6-5-7-16(14-15)24-10-12-25-13-11-24;1-21(2)17-12-6-4-5-7-14(12)19-16(20-17)13-10-11(18)8-9-15(13)22-3;2*1-20(2)17-12-8-4-6-10-14(12)18-16(19-17)13-9-5-7-11-15(13)21-3;1-3-6-4-2-5-1;;;/h3-9,14H,10-13H2,1-2H3;4-10H,1-3H3;2*4-11H,1-3H3;5H,1-4H2;1H4;1H3;/q;;;;;;-1;+1
• InChIKey: XONLRHCHCOABEL-UHFFFAOYSA-N
• XLogP: 11.77
• TPSA: 177.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1392.54
LogP ≤ 5	11.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine?

The IUPAC name of sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine (CID 157163740) is sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine.

What is the SMILES notation for sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine?

The canonical SMILES for sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine is C.C1COCCN1.CN(C)c1nc(-c2cccc(N3CCOCC3)c2)nc2ccccc12.COc1ccc(Br)cc1-c1nc(N(C)C)c2ccccc2n1.COc1ccccc1-c1nc(N(C)C)c2ccccc2n1.COc1ccccc1-c1nc(N(C)C)c2ccccc2n1.[CH3-].[Na+].

What is the InChIKey of sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine?

The InChIKey is XONLRHCHCOABEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.C17H16BrN3O.2C17H17N3O.C4H9NO.CH4.CH3.Na/c1-23(2)20-17-8-3-4-9-18(17)21-19(22-20)15-6-5-7-16(14-15)24-10-12-25-13-11-24;1-21(2)17-12-6-4-5-7-14(12)19-16(20-17)13-10-11(18)8-9-15(13)22-3;2*1-20(2)17-12-8-4-6-10-14(12)18-16(19-17)13-9-5-7-11-15(13)21-3;1-3-6-4-2-5-1;;;/h3-9,14H,10-13H2,1-2H3;4-10H,1-3H3;2*4-11H,1-3H3;5H,1-4H2;1H4;1H3;/q;;;;;;-1;+1.

What are the key properties of sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine?

sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine has a molecular weight of 1392.54 g/mol, XLogP of 11.77, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-(5-bromo-2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine;carbanide;N,N-dimethyl-2-(3-morpholin-4-ylphenyl)quinazolin-4-amine;methane;bis(2-(2-methoxyphenyl)-N,N-dimethylquinazolin-4-amine);morpholine is sourced from PubChem (CID 157163740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).