7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one

C16H11ClFNO2 — CID 123727060

IUPAC7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1cc2c(O)c(-c3ccccc3F)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C16H11ClFNO2/c1-8-6-10-13(7-11(8)17)19-16(21)14(15(10)20)9-4-2-3-5-12(9)18/h2-7H,1H3,(H2,19,20,21)
InChIKeyURVSCPZLVSTGLI-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.00
Rot. Bonds1

About 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one

7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one (PubChem CID 123727060) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
PubChem CID123727060
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Name7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
SMILESCc1cc2c(O)c(-c3ccccc3F)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C16H11ClFNO2/c1-8-6-10-13(7-11(8)17)19-16(21)14(15(10)20)9-4-2-3-5-12(9)18/h2-7H,1H3,(H2,19,20,21)
InChIKeyURVSCPZLVSTGLI-UHFFFAOYSA-N
XLogP4.00
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one (CID 123727060) is 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one is Cc1cc2c(O)c(-c3ccccc3F)c(=O)[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
The InChIKey is URVSCPZLVSTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-8-6-10-13(7-11(8)17)19-16(21)14(15(10)20)9-4-2-3-5-12(9)18/h2-7H,1H3,(H2,19,20,21).
What are the key properties of 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one?
7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one has a molecular weight of 303.72 g/mol, XLogP of 4.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-fluorophenyl)-4-hydroxy-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 123727060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).