(1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate

C16H15NO4 — CID 54704028

IUPAC(1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate
SMILESCC(=O)OCc1c(O)c2c([nH]c1=O)CCc1ccccc1-2
InChIInChI=1S/C16H15NO4/c1-9(18)21-8-12-15(19)14-11-5-3-2-4-10(11)6-7-13(14)17-16(12)20/h2-5H,6-8H2,1H3,(H2,17,19,20)
InChIKeyKVGUOOXIYNWQQG-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.91
Rot. Bonds2

About (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate

(1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate (PubChem CID 54704028) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate.

Molecular Properties

Compound Name(1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate
PubChem CID54704028
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate
SMILESCC(=O)OCc1c(O)c2c([nH]c1=O)CCc1ccccc1-2
InChIInChI=1S/C16H15NO4/c1-9(18)21-8-12-15(19)14-11-5-3-2-4-10(11)6-7-13(14)17-16(12)20/h2-5H,6-8H2,1H3,(H2,17,19,20)
InChIKeyKVGUOOXIYNWQQG-UHFFFAOYSA-N
XLogP1.91
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Spf-32629B
CID 54684614
4-hydroxy-6-[(S)-3-methylbutanoyloxy(phenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 54728545
4-hydroxy-6-[(R)-3-methylbutanoyloxy(phenyl)methyl]-2-oxo-1H-pyridine-3-carboxylic acid
CID 54728546
4-[(2,6-Difluoro-6-methoxy-4-phenylcyclohexa-1,3-dien-1-yl)carbamoyl]-2,5-dihydrofuran-3-carboxylic acid
CID 69886365
(2,2,2-trifluoroacetyl) 4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carboxylate
CID 142719921
3-Benzyl-5-ethoxycarbonyl-4-hydroxy-6-methyLpyridin-2(1H)-on
CID 54705933
methyl 2-benzyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 134913839
ethyl 1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carboxylate
CID 54679329
6-methyl-5-phenyl-4,7-dihydro-3H-pyrano[3,4-c]pyridine-1,8-dione
CID 11149501
3-oxo-5,7-dihydro-4H-[2]benzoxepino[4,5-b]pyridine-2-carboxylic acid
CID 20443825
ethyl 4-(cyclohexylmethoxy)-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate
CID 53303823
ethyl 4-cyclohexyloxy-2-oxo-6-(2-phenylethyl)-1H-pyridine-3-carboxylate
CID 53303824

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate?
The IUPAC name of (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate (CID 54704028) is (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate.
What is the SMILES notation for (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate?
The canonical SMILES for (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate is CC(=O)OCc1c(O)c2c([nH]c1=O)CCc1ccccc1-2.
What is the InChIKey of (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate?
The InChIKey is KVGUOOXIYNWQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9(18)21-8-12-15(19)14-11-5-3-2-4-10(11)6-7-13(14)17-16(12)20/h2-5H,6-8H2,1H3,(H2,17,19,20).
What are the key properties of (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate?
(1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate has a molecular weight of 285.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-oxo-5,6-dihydro-4H-benzo[f]quinolin-2-yl)methyl acetate is sourced from PubChem (CID 54704028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).