bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride

C56H64Cl6N11O6P — CID 159672302

About bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride

bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride (PubChem CID 159672302) has the molecular formula C56H64Cl6N11O6P and a molecular weight of 1230.89 g/mol. Its IUPAC name is bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride.

Molecular Properties

• Compound Name: bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride
• PubChem CID: 159672302
• Molecular Formula: C56H64Cl6N11O6P
• Molecular Weight: 1230.89 g/mol
• Exact Mass: 1227.29
• IUPAC Name: bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride
• SMILES: C.CC#N.CC#N.CNc1ccc(CO)cc1.COC(=O)c1ccccc1N.COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.Cc1nc(Cl)c2ccccc2n1.Cc1nc2ccccc2c(=O)[nH]1.Cl.Cl.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C17H17N3O.C9H7ClN2.C9H8N2O.C8H9NO2.C8H11NO.2C2H3N.CH4.Cl3OP.2ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;1-6-11-8-5-3-2-4-7(8)9(10)12-6;1-6-10-8-5-3-2-4-7(8)9(12)11-6;1-11-8(10)6-4-2-3-5-7(6)9;1-9-8-4-2-7(6-10)3-5-8;2*1-2-3;;1-5(2,3)4;;/h4-11H,1-3H3;2-5H,1H3;2-5H,1H3,(H,10,11,12);2-5H,9H2,1H3;2-5,9-10H,6H2,1H3;2*1H3;1H4;;2*1H
• InChIKey: SQYQALARSHNNCJ-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 259.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1230.89
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride?

The IUPAC name of bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride (CID 159672302) is bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride.

What is the SMILES notation for bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride?

The canonical SMILES for bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride is C.CC#N.CC#N.CNc1ccc(CO)cc1.COC(=O)c1ccccc1N.COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.Cc1nc(Cl)c2ccccc2n1.Cc1nc2ccccc2c(=O)[nH]1.Cl.Cl.O=P(Cl)(Cl)Cl.

What is the InChIKey of bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride?

The InChIKey is SQYQALARSHNNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O.C9H7ClN2.C9H8N2O.C8H9NO2.C8H11NO.2C2H3N.CH4.Cl3OP.2ClH/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13;1-6-11-8-5-3-2-4-7(8)9(10)12-6;1-6-10-8-5-3-2-4-7(8)9(12)11-6;1-11-8(10)6-4-2-3-5-7(6)9;1-9-8-4-2-7(6-10)3-5-8;2*1-2-3;;1-5(2,3)4;;/h4-11H,1-3H3;2-5H,1H3;2-5H,1H3,(H,10,11,12);2-5H,9H2,1H3;2-5,9-10H,6H2,1H3;2*1H3;1H4;;2*1H.

What are the key properties of bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride?

bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride has a molecular weight of 1230.89 g/mol, XLogP of 15.16, 6 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);4-chloro-2-methylquinazoline;methane;N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;methyl 2-aminobenzoate;[4-(methylamino)phenyl]methanol;2-methyl-3H-quinazolin-4-one;phosphoryl trichloride;dihydrochloride is sourced from PubChem (CID 159672302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).