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

C15H13NO4 — CID 72703677

IUPAC(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2[C@@](O)(c2ccc(O)cc2)[C@@H]1O
InChIInChI=1S/C15H13NO4/c17-10-7-5-9(6-8-10)15(20)11-3-1-2-4-12(11)16-14(19)13(15)18/h1-8,13,17-18,20H,(H,16,19)/t13-,15+/m1/s1
InChIKeyKCCQWQGKTHFIKZ-HIFRSBDPSA-N
MW271.27 g/mol
LogP0.94
Rot. Bonds1

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

(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one (PubChem CID 72703677) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one
PubChem CID72703677
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one
SMILESO=C1Nc2ccccc2[C@@](O)(c2ccc(O)cc2)[C@@H]1O
InChIInChI=1S/C15H13NO4/c17-10-7-5-9(6-8-10)15(20)11-3-1-2-4-12(11)16-14(19)13(15)18/h1-8,13,17-18,20H,(H,16,19)/t13-,15+/m1/s1
InChIKeyKCCQWQGKTHFIKZ-HIFRSBDPSA-N
XLogP0.94
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-Dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
CID 11997642
4-Hydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
CID 23843957
(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
Aflaquinolone E
CID 57381070
6-deoxyaflaquinolone D
CID 72703463
Isoaflaquinolone E
CID 72703676
NCGC00381143-01_C15H13NO3_2(1H)-Quinolinone, 3,4-dihydro-3,4-dihydroxy-4-phenyl-
CID 75411933
3S*,4R*-dihydroxy-4-(4'-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone
CID 25768659
Quinolinone A
CID 25768656

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one?
The IUPAC name of (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one (CID 72703677) is (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one.
What is the SMILES notation for (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one?
The canonical SMILES for (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one is O=C1Nc2ccccc2[C@@](O)(c2ccc(O)cc2)[C@@H]1O.
What is the InChIKey of (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one?
The InChIKey is KCCQWQGKTHFIKZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H13NO4/c17-10-7-5-9(6-8-10)15(20)11-3-1-2-4-12(11)16-14(19)13(15)18/h1-8,13,17-18,20H,(H,16,19)/t13-,15+/m1/s1.
What are the key properties of (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one?
(3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one has a molecular weight of 271.27 g/mol, XLogP of 0.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dihydroxy-4-(4-hydroxyphenyl)-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 72703677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).