(3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

C16H15NO4 — CID 72703676

IUPAC(3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCO[C@@H]1C(=O)Nc2ccc(O)cc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-21-14-15(19)17-13-8-7-11(18)9-12(13)16(14,20)10-5-3-2-4-6-10/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16+/m1/s1
InChIKeyIVIJFOTUBOTKFH-ZBFHGGJFSA-N
MW285.30 g/mol
LogP1.60
Rot. Bonds2

About (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

(3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 72703676) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID72703676
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCO[C@@H]1C(=O)Nc2ccc(O)cc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-21-14-15(19)17-13-8-7-11(18)9-12(13)16(14,20)10-5-3-2-4-6-10/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16+/m1/s1
InChIKeyIVIJFOTUBOTKFH-ZBFHGGJFSA-N
XLogP1.60
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 72703676) is (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is CO[C@@H]1C(=O)Nc2ccc(O)cc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is IVIJFOTUBOTKFH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-14-15(19)17-13-8-7-11(18)9-12(13)16(14,20)10-5-3-2-4-6-10/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16+/m1/s1.
What are the key properties of (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
(3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 285.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4,6-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 72703676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).