2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride

C61H54Cl4N9O8P — CID 158687548

About 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride

2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride (PubChem CID 158687548) has the molecular formula C61H54Cl4N9O8P and a molecular weight of 1213.94 g/mol. Its IUPAC name is 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride.

Molecular Properties

• Compound Name: 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride
• PubChem CID: 158687548
• Molecular Formula: C61H54Cl4N9O8P
• Molecular Weight: 1213.94 g/mol
• Exact Mass: 1211.26
• IUPAC Name: 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride
• SMILES: CNc1nc(-c2ccc(OC)cc2)nc2ccccc12.COc1ccc(-c2nc(Cl)c3ccccc3n2)cc1.COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.NC(=O)c1ccccc1N.O=Cc1ccc(CO)cc1.O=P(Cl)(Cl)Cl
• InChI: InChI=1S/C16H15N3O.C15H11ClN2O.C15H12N2O2.C8H8O2.C7H8N2O.Cl3OP/c1-17-16-13-5-3-4-6-14(13)18-15(19-16)11-7-9-12(20-2)10-8-11;1-19-11-8-6-10(7-9-11)15-17-13-5-3-2-4-12(13)14(16)18-15;1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14;9-5-7-1-2-8(6-10)4-3-7;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h3-10H,1-2H3,(H,17,18,19);2-9H,1H3;2-9H,1H3,(H,16,17,18);1-5,10H,6H2;1-4H,8H2,(H2,9,10)
• InChIKey: IFXVLBCUZOREBH-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 260.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1213.94
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride?

The IUPAC name of 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride (CID 158687548) is 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride.

What is the SMILES notation for 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride?

The canonical SMILES for 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride is CNc1nc(-c2ccc(OC)cc2)nc2ccccc12.COc1ccc(-c2nc(Cl)c3ccccc3n2)cc1.COc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.NC(=O)c1ccccc1N.O=Cc1ccc(CO)cc1.O=P(Cl)(Cl)Cl.

What is the InChIKey of 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride?

The InChIKey is IFXVLBCUZOREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.C15H11ClN2O.C15H12N2O2.C8H8O2.C7H8N2O.Cl3OP/c1-17-16-13-5-3-4-6-14(13)18-15(19-16)11-7-9-12(20-2)10-8-11;1-19-11-8-6-10(7-9-11)15-17-13-5-3-2-4-12(13)14(16)18-15;1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14;9-5-7-1-2-8(6-10)4-3-7;8-6-4-2-1-3-5(6)7(9)10;1-5(2,3)4/h3-10H,1-2H3,(H,17,18,19);2-9H,1H3;2-9H,1H3,(H,16,17,18);1-5,10H,6H2;1-4H,8H2,(H2,9,10);.

What are the key properties of 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride?

2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride has a molecular weight of 1213.94 g/mol, XLogP of 14.07, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminobenzamide;4-chloro-2-(4-methoxyphenyl)quinazoline;4-(hydroxymethyl)benzaldehyde;2-(4-methoxyphenyl)-N-methylquinazolin-4-amine;2-(4-methoxyphenyl)-3H-quinazolin-4-one;phosphoryl trichloride is sourced from PubChem (CID 158687548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).