4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one

C25H19Cl2N3O2S — CID 22465424

IUPAC4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
SMILESCn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1sccc1Cl
InChIInChI=1S/C25H19Cl2N3O2S/c1-29-14-28-13-22(29)25(32,24-20(27)8-9-33-24)16-6-7-21-19(11-16)18(12-23(31)30(21)2)15-4-3-5-17(26)10-15/h3-14,32H,1-2H3
InChIKeyPJVIOQSNONDRNZ-UHFFFAOYSA-N
MW496.42 g/mol
LogP5.59
Rot. Bonds4

About 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one

4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (PubChem CID 22465424) has the molecular formula C25H19Cl2N3O2S and a molecular weight of 496.42 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
PubChem CID22465424
Molecular FormulaC25H19Cl2N3O2S
Molecular Weight496.42 g/mol
Exact Mass495.06
IUPAC Name4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
SMILESCn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1sccc1Cl
InChIInChI=1S/C25H19Cl2N3O2S/c1-29-14-28-13-22(29)25(32,24-20(27)8-9-33-24)16-6-7-21-19(11-16)18(12-23(31)30(21)2)15-4-3-5-17(26)10-15/h3-14,32H,1-2H3
InChIKeyPJVIOQSNONDRNZ-UHFFFAOYSA-N
XLogP5.59
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.42
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one (CID 22465424) is 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is Cn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1sccc1Cl.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
The InChIKey is PJVIOQSNONDRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O2S/c1-29-14-28-13-22(29)25(32,24-20(27)8-9-33-24)16-6-7-21-19(11-16)18(12-23(31)30(21)2)15-4-3-5-17(26)10-15/h3-14,32H,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one?
4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one has a molecular weight of 496.42 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 22465424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).