3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one

C18H15NO3 — CID 54697300

IUPAC3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one
SMILESCc1ccc(C(=O)c2c(O)c3ccccc3[nH]c2=O)c(C)c1
InChIInChI=1S/C18H15NO3/c1-10-7-8-12(11(2)9-10)16(20)15-17(21)13-5-3-4-6-14(13)19-18(15)22/h3-9H,1-2H3,(H2,19,21,22)
InChIKeyCZHHVPCYLWANKA-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.08
Rot. Bonds2

About 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one

3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one (PubChem CID 54697300) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one
PubChem CID54697300
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one
SMILESCc1ccc(C(=O)c2c(O)c3ccccc3[nH]c2=O)c(C)c1
InChIInChI=1S/C18H15NO3/c1-10-7-8-12(11(2)9-10)16(20)15-17(21)13-5-3-4-6-14(13)19-18(15)22/h3-9H,1-2H3,(H2,19,21,22)
InChIKeyCZHHVPCYLWANKA-UHFFFAOYSA-N
XLogP3.08
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one (CID 54697300) is 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one is Cc1ccc(C(=O)c2c(O)c3ccccc3[nH]c2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one?
The InChIKey is CZHHVPCYLWANKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-10-7-8-12(11(2)9-10)16(20)15-17(21)13-5-3-4-6-14(13)19-18(15)22/h3-9H,1-2H3,(H2,19,21,22).
What are the key properties of 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one?
3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one has a molecular weight of 293.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylbenzoyl)-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 54697300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).