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

C16H15NO3 — CID 72703463

IUPAC(3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCO[C@@H]1C(=O)Nc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-20-14-15(18)17-13-10-6-5-9-12(13)16(14,19)11-7-3-2-4-8-11/h2-10,14,19H,1H3,(H,17,18)/t14-,16+/m1/s1
InChIKeyZJKJPVOOYVJWFU-ZBFHGGJFSA-N
MW269.30 g/mol
LogP1.89
Rot. Bonds2

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

(3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 72703463) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID72703463
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCO[C@@H]1C(=O)Nc2ccccc2[C@@]1(O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-20-14-15(18)17-13-10-6-5-9-12(13)16(14,19)11-7-3-2-4-8-11/h2-10,14,19H,1H3,(H,17,18)/t14-,16+/m1/s1
InChIKeyZJKJPVOOYVJWFU-ZBFHGGJFSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 72703463) is (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is CO[C@@H]1C(=O)Nc2ccccc2[C@@]1(O)c1ccccc1.
What is the InChIKey of (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is ZJKJPVOOYVJWFU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H15NO3/c1-20-14-15(18)17-13-10-6-5-9-12(13)16(14,19)11-7-3-2-4-8-11/h2-10,14,19H,1H3,(H,17,18)/t14-,16+/m1/s1.
What are the key properties of (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
(3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 72703463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).