7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one

C17H12ClNO3 — CID 54726294

IUPAC7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one
SMILESO=C(Cc1ccccc1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3/c18-11-6-7-12-13(9-11)19-17(22)15(16(12)21)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,19,21,22)
InChIKeyQMKDAFLEVDTYCO-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.31
Rot. Bonds3

About 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one

7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one (PubChem CID 54726294) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one
PubChem CID54726294
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one
SMILESO=C(Cc1ccccc1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3/c18-11-6-7-12-13(9-11)19-17(22)15(16(12)21)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,19,21,22)
InChIKeyQMKDAFLEVDTYCO-UHFFFAOYSA-N
XLogP3.31
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one?
The IUPAC name of 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one (CID 54726294) is 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one is O=C(Cc1ccccc1)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one?
The InChIKey is QMKDAFLEVDTYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-11-6-7-12-13(9-11)19-17(22)15(16(12)21)14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,19,21,22).
What are the key properties of 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one?
7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one has a molecular weight of 313.74 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-3-(2-phenylacetyl)-1H-quinolin-2-one is sourced from PubChem (CID 54726294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).