3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one

C15H13NO3 — CID 75411933

IUPAC3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C(O)(c2ccccc2)C1O
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)
InChIKeyICAOEYXCZNNQNW-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.24
Rot. Bonds1

About 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one

3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 75411933) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID75411933
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2C(O)(c2ccccc2)C1O
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)
InChIKeyICAOEYXCZNNQNW-UHFFFAOYSA-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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Related Compounds

Mandelanilide
CID 346169
3,4-Dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
CID 11997642
(3R,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
CID 11580080
Aflaquinolone F
CID 57381071
Aflaquinolone G
CID 57381072
(3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
CID 11536531
6-deoxyaflaquinolone D
CID 72703463
14-Hydroxyaflaquinolone F
CID 72703677
3,3-Dibenzyl-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677361
3,3-Dibenzyl-6-fluoro-4-hydroxy-1,4-dihydroquinolin-2-one
CID 90677362
3,3-Dibenzyl-4-hydroxy-6-methyl-1,4-dihydroquinolin-2-one
CID 90677365
4-Hydroxy-1-methyl-3,4-dihydroquinolin-2-one
CID 43753536

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 75411933) is 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one is O=C1Nc2ccccc2C(O)(c2ccccc2)C1O.
What is the InChIKey of 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is ICAOEYXCZNNQNW-UHFFFAOYSA-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).
What are the key properties of 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one?
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 3,4-dihydroxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 75411933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).