6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one

C57H56ClN9O5P2 — CID 90823137

About 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one

6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one (PubChem CID 90823137) has the molecular formula C57H56ClN9O5P2 and a molecular weight of 1044.53 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one.

Molecular Properties

• Compound Name: 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one
• PubChem CID: 90823137
• Molecular Formula: C57H56ClN9O5P2
• Molecular Weight: 1044.53 g/mol
• Exact Mass: 1043.36
• IUPAC Name: 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one
• SMILES: Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(O)cc1)c1ccc2c(c1)c(-c1cncc(P(C)(C)=O)c1)cc(=O)n2C
• InChI: InChI=1S/C29H28ClN4O2P.C28H28N5O3P/c1-33-18-32-17-27(33)29(31,20-8-11-22(30)12-9-20)21-10-13-26-25(15-21)24(16-28(35)34(26)2)19-6-5-7-23(14-19)37(3,4)36;1-32-17-31-16-26(32)28(29,19-5-8-21(34)9-6-19)20-7-10-25-24(12-20)23(13-27(35)33(25)2)18-11-22(15-30-14-18)37(3,4)36/h5-18H,31H2,1-4H3;5-17,34H,29H2,1-4H3
• InChIKey: WZNCMIHWLMFEGU-UHFFFAOYSA-N
• XLogP: 8.63
• TPSA: 198.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.53
LogP ≤ 5	8.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one?

The IUPAC name of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one (CID 90823137) is 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one.

What is the SMILES notation for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one?

The canonical SMILES for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one is Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(O)cc1)c1ccc2c(c1)c(-c1cncc(P(C)(C)=O)c1)cc(=O)n2C.

What is the InChIKey of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one?

The InChIKey is WZNCMIHWLMFEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN4O2P.C28H28N5O3P/c1-33-18-32-17-27(33)29(31,20-8-11-22(30)12-9-20)21-10-13-26-25(15-21)24(16-28(35)34(26)2)19-6-5-7-23(14-19)37(3,4)36;1-32-17-31-16-26(32)28(29,19-5-8-21(34)9-6-19)20-7-10-25-24(12-20)23(13-27(35)33(25)2)18-11-22(15-30-14-18)37(3,4)36/h5-18H,31H2,1-4H3;5-17,34H,29H2,1-4H3.

What are the key properties of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one?

6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one has a molecular weight of 1044.53 g/mol, XLogP of 8.63, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(5-dimethylphosphoryl-3-pyridinyl)-1-methylquinolin-2-one is sourced from PubChem (CID 90823137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).