3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one

C16H10ClNO3 — CID 135470372

IUPAC3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1ccccc1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-16(21)13(15(11)20)14(19)9-4-2-1-3-5-9/h1-8H,(H2,18,20,21)
InChIKeyUYFAYPWGILNFND-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.12
Rot. Bonds2

About 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one

3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one (PubChem CID 135470372) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one
PubChem CID135470372
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one
SMILESO=C(c1ccccc1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-16(21)13(15(11)20)14(19)9-4-2-1-3-5-9/h1-8H,(H2,18,20,21)
InChIKeyUYFAYPWGILNFND-UHFFFAOYSA-N
XLogP3.12
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
The IUPAC name of 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one (CID 135470372) is 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one is O=C(c1ccccc1)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
The InChIKey is UYFAYPWGILNFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-10-6-7-11-12(8-10)18-16(21)13(15(11)20)14(19)9-4-2-1-3-5-9/h1-8H,(H2,18,20,21).
What are the key properties of 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one?
3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one has a molecular weight of 299.71 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-7-chloro-4-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 135470372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).