1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one

C16H13NO4 — CID 114343657

IUPAC1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2cccc(O)c2O)c2ccccc21
InChIInChI=1S/C16H13NO4/c18-13-8-9-17(12-6-2-1-4-10(12)13)16(21)11-5-3-7-14(19)15(11)20/h1-7,19-20H,8-9H2
InChIKeyIBFYPWYSBSJGFE-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.33
Rot. Bonds1

About 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one

1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 114343657) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID114343657
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2cccc(O)c2O)c2ccccc21
InChIInChI=1S/C16H13NO4/c18-13-8-9-17(12-6-2-1-4-10(12)13)16(21)11-5-3-7-14(19)15(11)20/h1-7,19-20H,8-9H2
InChIKeyIBFYPWYSBSJGFE-UHFFFAOYSA-N
XLogP2.33
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965
1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
CID 107939085
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114343065
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 114820791
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
CID 72709163
1-(3-ethylthiophene-2-carbonyl)-2,3-dihydroquinolin-4-one
CID 79975950
(2,3-dihydroxyphenyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 114343719

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one (CID 114343657) is 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2cccc(O)c2O)c2ccccc21.
What is the InChIKey of 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is IBFYPWYSBSJGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-13-8-9-17(12-6-2-1-4-10(12)13)16(21)11-5-3-7-14(19)15(11)20/h1-7,19-20H,8-9H2.
What are the key properties of 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one?
1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 283.28 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 114343657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).