3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one

C16H13NO4 — CID 10850527

IUPAC3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one
SMILESCc1ccc(-c2[nH]c3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C16H13NO4/c1-8-2-4-9(5-3-8)14-16(21)15(20)13-11(17-14)6-10(18)7-12(13)19/h2-7,18-19,21H,1H3,(H,17,20)
InChIKeyGPZUHTXETNJGME-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.62
Rot. Bonds1

About 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one

3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one (PubChem CID 10850527) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one
PubChem CID10850527
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one
SMILESCc1ccc(-c2[nH]c3cc(O)cc(O)c3c(=O)c2O)cc1
InChIInChI=1S/C16H13NO4/c1-8-2-4-9(5-3-8)14-16(21)15(20)13-11(17-14)6-10(18)7-12(13)19/h2-7,18-19,21H,1H3,(H,17,20)
InChIKeyGPZUHTXETNJGME-UHFFFAOYSA-N
XLogP2.62
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one?
The IUPAC name of 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one (CID 10850527) is 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one?
The canonical SMILES for 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one is Cc1ccc(-c2[nH]c3cc(O)cc(O)c3c(=O)c2O)cc1.
What is the InChIKey of 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one?
The InChIKey is GPZUHTXETNJGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-8-2-4-9(5-3-8)14-16(21)15(20)13-11(17-14)6-10(18)7-12(13)19/h2-7,18-19,21H,1H3,(H,17,20).
What are the key properties of 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one?
3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one has a molecular weight of 283.28 g/mol, XLogP of 2.62, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-2-(4-methylphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 10850527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).