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

C16H15NO4 — CID 11536531

IUPAC(3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc([C@@]2(O)c3ccccc3NC(=O)[C@H]2O)cc1
InChIInChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16-/m1/s1
InChIKeyVJLVPUFVTPJHDI-GDBMZVCRSA-N
MW285.30 g/mol
LogP1.24
Rot. Bonds2

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

(3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (PubChem CID 11536531) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
PubChem CID11536531
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc([C@@]2(O)c3ccccc3NC(=O)[C@H]2O)cc1
InChIInChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16-/m1/s1
InChIKeyVJLVPUFVTPJHDI-GDBMZVCRSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Peniprequinolone
CID 16681748
3-hydroxy-3-(4-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 5297668
Penigequinolone B
CID 23843948
Yaequinolone E
CID 16091462
(3R,4R)-4,5-dihydroxy-6-((E)-2-(5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)vinyl)-3-methoxy-4-(4-methoxyphenyl)-3,4-dihydroquinolin-2(1H)-one
CID 16091465
Quinolinone B
CID 101083381
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
Yaequinolone J1
CID 11655315
Yaequinolone J2
CID 11669563
Aflaquinolone F
CID 57381071

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The IUPAC name of (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (CID 11536531) is (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.
What is the SMILES notation for (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The canonical SMILES for (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is COc1ccc([C@@]2(O)c3ccccc3NC(=O)[C@H]2O)cc1.
What is the InChIKey of (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The InChIKey is VJLVPUFVTPJHDI-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16-/m1/s1.
What are the key properties of (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
(3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one has a molecular weight of 285.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 11536531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).