1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one

C16H12FNO3 — CID 107014965

IUPAC1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2c(O)cccc2F)c2ccccc21
InChIInChI=1S/C16H12FNO3/c17-11-5-3-7-14(20)15(11)16(21)18-9-8-13(19)10-4-1-2-6-12(10)18/h1-7,20H,8-9H2
InChIKeyYRKNMTUOCZILFR-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.76
Rot. Bonds1

About 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one

1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 107014965) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID107014965
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2c(O)cccc2F)c2ccccc21
InChIInChI=1S/C16H12FNO3/c17-11-5-3-7-14(20)15(11)16(21)18-9-8-13(19)10-4-1-2-6-12(10)18/h1-7,20H,8-9H2
InChIKeyYRKNMTUOCZILFR-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 114343657
1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 78780639
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 114820791
1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
CID 107939085
1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
CID 72709163
1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
CID 79975950
(2-fluoro-6-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 104917485
1-[5-(4-fluorophenyl)-1-methylpyrazole-3-carbonyl]-2,3-dihydroquinolin-4-one
CID 110618375

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one (CID 107014965) is 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2c(O)cccc2F)c2ccccc21.
What is the InChIKey of 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is YRKNMTUOCZILFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-11-5-3-7-14(20)15(11)16(21)18-9-8-13(19)10-4-1-2-6-12(10)18/h1-7,20H,8-9H2.
What are the key properties of 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one?
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 285.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 107014965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).