3-acetyl-4-phenyl-1H-quinolin-2-one

C17H13NO2 — CID 773774

IUPAC3-acetyl-4-phenyl-1H-quinolin-2-one
SMILESCC(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13NO2/c1-11(19)15-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-17(15)20/h2-10H,1H3,(H,18,20)
InChIKeyUVIFCFBKDKJCFD-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.40
Rot. Bonds2

About 3-acetyl-4-phenyl-1H-quinolin-2-one

3-acetyl-4-phenyl-1H-quinolin-2-one (PubChem CID 773774) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-acetyl-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-4-phenyl-1H-quinolin-2-one
PubChem CID773774
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-acetyl-4-phenyl-1H-quinolin-2-one
SMILESCC(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13NO2/c1-11(19)15-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-17(15)20/h2-10H,1H3,(H,18,20)
InChIKeyUVIFCFBKDKJCFD-UHFFFAOYSA-N
XLogP3.40
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 3-acetyl-4-phenyl-1H-quinolin-2-one (CID 773774) is 3-acetyl-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 3-acetyl-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 3-acetyl-4-phenyl-1H-quinolin-2-one is CC(=O)c1c(-c2ccccc2)c2ccccc2[nH]c1=O.
What is the InChIKey of 3-acetyl-4-phenyl-1H-quinolin-2-one?
The InChIKey is UVIFCFBKDKJCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11(19)15-16(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-17(15)20/h2-10H,1H3,(H,18,20).
What are the key properties of 3-acetyl-4-phenyl-1H-quinolin-2-one?
3-acetyl-4-phenyl-1H-quinolin-2-one has a molecular weight of 263.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 773774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).