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

C114H112Cl2N18O10P4 — CID 158457635

IUPAC6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one
SMILESCn1cncc1C(N)(c1ccc(=O)[nH]c1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)n1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(O)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C
InChIInChI=1S/C29H28ClN4O2P.C29H29N4O3P.C28H27ClN5O2P.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;1-32-18-31-17-27(32)29(30,20-8-11-22(34)12-9-20)21-10-13-26-25(15-21)24(16-28(35)33(26)2)19-6-5-7-23(14-19)37(3,4)36;1-33-17-31-16-25(33)28(30,18-8-11-20(29)12-9-18)19-10-13-24-22(14-19)21(15-27(35)34(24)2)23-6-5-7-26(32-23)37(3,4)36;1-32-17-30-16-25(32)28(29,20-9-11-26(34)31-15-20)19-8-10-24-23(13-19)22(14-27(35)33(24)2)18-6-5-7-21(12-18)37(3,4)36/h5-18H,31H2,1-4H3;5-18,34H,30H2,1-4H3;5-17H,30H2,1-4H3;5-17H,29H2,1-4H3,(H,31,34)
InChIKeyHETQDSIFZZNJJA-UHFFFAOYSA-N
MW2089.07 g/mol
LogP16.85
Rot. Bonds20

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

6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one (PubChem CID 158457635) has the molecular formula C114H112Cl2N18O10P4 and a molecular weight of 2089.07 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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one
PubChem CID158457635
Molecular FormulaC114H112Cl2N18O10P4
Molecular Weight2089.07 g/mol
Exact Mass2086.71
IUPAC Name6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one
SMILESCn1cncc1C(N)(c1ccc(=O)[nH]c1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)n1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(O)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C
InChIInChI=1S/C29H28ClN4O2P.C29H29N4O3P.C28H27ClN5O2P.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;1-32-18-31-17-27(32)29(30,20-8-11-22(34)12-9-20)21-10-13-26-25(15-21)24(16-28(35)33(26)2)19-6-5-7-23(14-19)37(3,4)36;1-33-17-31-16-25(33)28(30,18-8-11-20(29)12-9-18)19-10-13-24-22(14-19)21(15-27(35)34(24)2)23-6-5-7-26(32-23)37(3,4)36;1-32-17-30-16-25(32)28(29,20-9-11-26(34)31-15-20)19-8-10-24-23(13-19)22(14-27(35)33(24)2)18-6-5-7-21(12-18)37(3,4)36/h5-18H,31H2,1-4H3;5-18,34H,30H2,1-4H3;5-17H,30H2,1-4H3;5-17H,29H2,1-4H3,(H,31,34)
InChIKeyHETQDSIFZZNJJA-UHFFFAOYSA-N
XLogP16.85
TPSA397.62 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002089.07
LogP ≤ 516.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one with MolForge

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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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one (CID 158457635) is 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one is Cn1cncc1C(N)(c1ccc(=O)[nH]c1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)c1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(P(C)(C)=O)n1)cc(=O)n2C.Cn1cncc1C(N)(c1ccc(O)cc1)c1ccc2c(c1)c(-c1cccc(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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one?
The InChIKey is HETQDSIFZZNJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClN4O2P.C29H29N4O3P.C28H27ClN5O2P.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;1-32-18-31-17-27(32)29(30,20-8-11-22(34)12-9-20)21-10-13-26-25(15-21)24(16-28(35)33(26)2)19-6-5-7-23(14-19)37(3,4)36;1-33-17-31-16-25(33)28(30,18-8-11-20(29)12-9-18)19-10-13-24-22(14-19)21(15-27(35)34(24)2)23-6-5-7-26(32-23)37(3,4)36;1-32-17-30-16-25(32)28(29,20-9-11-26(34)31-15-20)19-8-10-24-23(13-19)22(14-27(35)33(24)2)18-6-5-7-21(12-18)37(3,4)36/h5-18H,31H2,1-4H3;5-18,34H,30H2,1-4H3;5-17H,30H2,1-4H3;5-17H,29H2,1-4H3,(H,31,34).
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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one?
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one has a molecular weight of 2089.07 g/mol, XLogP of 16.85, 20 rotatable bonds, 6 hydrogen bond donors, and 27 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-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(6-dimethylphosphoryl-2-pyridinyl)-1-methylquinolin-2-one;6-[amino-(4-hydroxyphenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one;6-[amino-(3-methylimidazol-4-yl)-(6-oxo-1H-pyridin-3-yl)methyl]-4-(3-dimethylphosphorylphenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 158457635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).