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

C15H13NO3 — CID 57381071

IUPAC(3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2[C@@](O)(c2ccccc2)[C@@H]1O
InChIInChI=1S/C15H13NO3/c17-13-14(18)16-12-9-5-4-8-11(12)15(13,19)10-6-2-1-3-7-10/h1-9,13,17,19H,(H,16,18)/t13-,15+/m1/s1
InChIKeyICAOEYXCZNNQNW-HIFRSBDPSA-N
MW255.27 g/mol
LogP1.24
Rot. Bonds1

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

(3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 57381071) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID57381071
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2[C@@](O)(c2ccccc2)[C@@H]1O
InChIInChI=1S/C15H13NO3/c17-13-14(18)16-12-9-5-4-8-11(12)15(13,19)10-6-2-1-3-7-10/h1-9,13,17,19H,(H,16,18)/t13-,15+/m1/s1
InChIKeyICAOEYXCZNNQNW-HIFRSBDPSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 57381071) is (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one is O=C1Nc2ccccc2[C@@](O)(c2ccccc2)[C@@H]1O.
What is the InChIKey of (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is ICAOEYXCZNNQNW-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H13NO3/c17-13-14(18)16-12-9-5-4-8-11(12)15(13,19)10-6-2-1-3-7-10/h1-9,13,17,19H,(H,16,18)/t13-,15+/m1/s1.
What are the key properties of (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
(3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 255.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 57381071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).