3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid

C23H17NO4 — CID 15721861

IUPAC3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid
SMILESCc1ccc(-n2c(-c3ccccc3O)c(C(=O)O)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H17NO4/c1-14-10-12-15(13-11-14)24-21(18-8-4-5-9-19(18)25)20(23(27)28)16-6-2-3-7-17(16)22(24)26/h2-13,25H,1H3,(H,27,28)
InChIKeyUOERKNRQDJDEJR-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.37
Rot. Bonds3

About 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid

3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid (PubChem CID 15721861) has the molecular formula C23H17NO4 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid
PubChem CID15721861
Molecular FormulaC23H17NO4
Molecular Weight371.39 g/mol
Exact Mass371.12
IUPAC Name3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid
SMILESCc1ccc(-n2c(-c3ccccc3O)c(C(=O)O)c3ccccc3c2=O)cc1
InChIInChI=1S/C23H17NO4/c1-14-10-12-15(13-11-14)24-21(18-8-4-5-9-19(18)25)20(23(27)28)16-6-2-3-7-17(16)22(24)26/h2-13,25H,1H3,(H,27,28)
InChIKeyUOERKNRQDJDEJR-UHFFFAOYSA-N
XLogP4.37
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,5-bis(2-hydroxyphenyl)-1-(4-methylphenyl)imidazol-4-yl]phenol
CID 136716731
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 1071935
3-[[methyl(propan-2-yl)amino]methyl]-1-oxo-2-phenylisoquinoline-4-carboxylic acid
CID 67493101
1-(4-methylphenyl)-4-methylsulfanyl-2-(2-methylsulfanylphenyl)-6-oxopyrimidine-5-carboxylic acid
CID 69220565
3-(4-methylphenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 2084795
2-[9-(4-methylphenyl)carbazol-2-yl]phenol
CID 118682159
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
3-(4-methylphenyl)-2-[2-(2-phenoxyacetyl)phenyl]quinazolin-4-one
CID 4039036
ethyl 2-(4-ethoxycarbonylphenyl)-3-hydroxy-1-oxoisoquinoline-4-carboxylate
CID 135503877
5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one
CID 54691801
2-(bromomethyl)-3-(4-methylphenyl)quinazolin-4-one
CID 15561402
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid (CID 15721861) is 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid is Cc1ccc(-n2c(-c3ccccc3O)c(C(=O)O)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid?
The InChIKey is UOERKNRQDJDEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4/c1-14-10-12-15(13-11-14)24-21(18-8-4-5-9-19(18)25)20(23(27)28)16-6-2-3-7-17(16)22(24)26/h2-13,25H,1H3,(H,27,28).
What are the key properties of 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid?
3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid is sourced from PubChem (CID 15721861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).