6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one

C27H23N3O3 — CID 21302355

IUPAC6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one
SMILESCOC(c1cccc(O)c1)(c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C)c1cnc[nH]1
InChIInChI=1S/C27H23N3O3/c1-30-24-12-11-20(14-23(24)22(15-26(30)32)18-7-4-3-5-8-18)27(33-2,25-16-28-17-29-25)19-9-6-10-21(31)13-19/h3-17,31H,1-2H3,(H,28,29)
InChIKeyMPGRHBVRKALDTG-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.57
Rot. Bonds5

About 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one

6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one (PubChem CID 21302355) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one
PubChem CID21302355
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one
SMILESCOC(c1cccc(O)c1)(c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C)c1cnc[nH]1
InChIInChI=1S/C27H23N3O3/c1-30-24-12-11-20(14-23(24)22(15-26(30)32)18-7-4-3-5-8-18)27(33-2,25-16-28-17-29-25)19-9-6-10-21(31)13-19/h3-17,31H,1-2H3,(H,28,29)
InChIKeyMPGRHBVRKALDTG-UHFFFAOYSA-N
XLogP4.57
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one (CID 21302355) is 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one is COC(c1cccc(O)c1)(c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C)c1cnc[nH]1.
What is the InChIKey of 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one?
The InChIKey is MPGRHBVRKALDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-30-24-12-11-20(14-23(24)22(15-26(30)32)18-7-4-3-5-8-18)27(33-2,25-16-28-17-29-25)19-9-6-10-21(31)13-19/h3-17,31H,1-2H3,(H,28,29).
What are the key properties of 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one?
6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one has a molecular weight of 437.50 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxyphenyl)-(1H-imidazol-5-yl)-methoxymethyl]-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 21302355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).