2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide

C23H22N4O4 — CID 91936088

IUPAC2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
SMILESCc1cc(COc2ccc(NC(=O)Cc3[nH]c(=O)n(C)c3O)cc2)c2ccccc2n1
InChIInChI=1S/C23H22N4O4/c1-14-11-15(18-5-3-4-6-19(18)24-14)13-31-17-9-7-16(8-10-17)25-21(28)12-20-22(29)27(2)23(30)26-20/h3-11,29H,12-13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyFNJZPMDFGRFIRZ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.04
Rot. Bonds6

About 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide

2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide (PubChem CID 91936088) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
PubChem CID91936088
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide
SMILESCc1cc(COc2ccc(NC(=O)Cc3[nH]c(=O)n(C)c3O)cc2)c2ccccc2n1
InChIInChI=1S/C23H22N4O4/c1-14-11-15(18-5-3-4-6-19(18)24-14)13-31-17-9-7-16(8-10-17)25-21(28)12-20-22(29)27(2)23(30)26-20/h3-11,29H,12-13H2,1-2H3,(H,25,28)(H,26,30)
InChIKeyFNJZPMDFGRFIRZ-UHFFFAOYSA-N
XLogP3.04
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide (CID 91936088) is 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide is Cc1cc(COc2ccc(NC(=O)Cc3[nH]c(=O)n(C)c3O)cc2)c2ccccc2n1.
What is the InChIKey of 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
The InChIKey is FNJZPMDFGRFIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-11-15(18-5-3-4-6-19(18)24-14)13-31-17-9-7-16(8-10-17)25-21(28)12-20-22(29)27(2)23(30)26-20/h3-11,29H,12-13H2,1-2H3,(H,25,28)(H,26,30).
What are the key properties of 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide?
2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methyl-2-oxo-1H-imidazol-5-yl)-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 91936088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).