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

C112H106Cl4N18O10P4 — CID 91115596

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

6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (PubChem CID 91115596) has the molecular formula C112H106Cl4N18O10P4 and a molecular weight of 2129.90 g/mol. Its IUPAC name is 6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.

Molecular Properties

• Compound Name: 6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
• PubChem CID: 91115596
• Molecular Formula: C112H106Cl4N18O10P4
• Molecular Weight: 2129.90 g/mol
• Exact Mass: 2126.60
• IUPAC Name: 6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
• SMILES: Cn1cncc1C(N)(c1ccc(P(C)(C)=O)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(P(C)(C)=O)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1C(O)(c1ccc(P(C)(C)=O)nc1)c1ccc2c(c1)c(-c1cc(Cl)ccn1)cc(=O)n2C.Cn1cncc1C(O)(c1ccc(P(C)(C)=O)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
• InChI: InChI=1S/C29H28ClN4O2P.C28H27ClN5O2P.C28H26ClN4O3P.C27H25ClN5O3P/c1-33-18-32-17-27(33)29(31,20-8-11-23(12-9-20)37(3,4)36)21-10-13-26-25(15-21)24(16-28(35)34(26)2)19-6-5-7-22(30)14-19;1-33-17-31-16-25(33)28(30,20-9-11-26(32-15-20)37(3,4)36)19-8-10-24-23(13-19)22(14-27(35)34(24)2)18-6-5-7-21(29)12-18;1-32-17-30-16-25(32)28(35,20-9-11-26(31-15-20)37(3,4)36)19-8-10-24-23(13-19)22(14-27(34)33(24)2)18-6-5-7-21(29)12-18;1-32-16-29-15-24(32)27(35,18-6-8-25(31-14-18)37(3,4)36)17-5-7-23-21(11-17)20(13-26(34)33(23)2)22-12-19(28)9-10-30-22/h5-18H,31H2,1-4H3;5-17H,30H2,1-4H3;5-17,35H,1-4H3;5-16,35H,1-4H3
• InChIKey: IMLSSJWHTAHVDK-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 371.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2129.90
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (CID 91115596) is 6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.

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

The canonical SMILES for 6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is Cn1cncc1C(N)(c1ccc(P(C)(C)=O)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(P(C)(C)=O)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.Cn1cncc1C(O)(c1ccc(P(C)(C)=O)nc1)c1ccc2c(c1)c(-c1cc(Cl)ccn1)cc(=O)n2C.Cn1cncc1C(O)(c1ccc(P(C)(C)=O)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.

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

The InChIKey is IMLSSJWHTAHVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN4O2P.C28H27ClN5O2P.C28H26ClN4O3P.C27H25ClN5O3P/c1-33-18-32-17-27(33)29(31,20-8-11-23(12-9-20)37(3,4)36)21-10-13-26-25(15-21)24(16-28(35)34(26)2)19-6-5-7-22(30)14-19;1-33-17-31-16-25(33)28(30,20-9-11-26(32-15-20)37(3,4)36)19-8-10-24-23(13-19)22(14-27(35)34(24)2)18-6-5-7-21(29)12-18;1-32-17-30-16-25(32)28(35,20-9-11-26(31-15-20)37(3,4)36)19-8-10-24-23(13-19)22(14-27(34)33(24)2)18-6-5-7-21(29)12-18;1-32-16-29-15-24(32)27(35,18-6-8-25(31-14-18)37(3,4)36)17-5-7-23-21(11-17)20(13-26(34)33(23)2)22-12-19(28)9-10-30-22/h5-18H,31H2,1-4H3;5-17H,30H2,1-4H3;5-17,35H,1-4H3;5-16,35H,1-4H3.

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

6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one has a molecular weight of 2129.90 g/mol, XLogP of 18.01, 20 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[amino-(4-dimethylphosphorylphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;6-[amino-(6-dimethylphosphoryl-3-pyridinyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;4-(3-chlorophenyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one;4-(4-chloro-2-pyridinyl)-6-[(6-dimethylphosphoryl-3-pyridinyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 91115596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).