(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

C17H17NO5 — CID 101083381

IUPAC(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc([C@@]2(O)c3c(O)cccc3NC(=O)[C@@H]2OC)cc1
InChIInChI=1S/C17H17NO5/c1-22-11-8-6-10(7-9-11)17(21)14-12(4-3-5-13(14)19)18-16(20)15(17)23-2/h3-9,15,19,21H,1-2H3,(H,18,20)/t15-,17+/m0/s1
InChIKeyRKXDYKMWUHSLGF-DOTOQJQBSA-N
MW315.33 g/mol
LogP1.60
Rot. Bonds3

About (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (PubChem CID 101083381) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
PubChem CID101083381
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc([C@@]2(O)c3c(O)cccc3NC(=O)[C@@H]2OC)cc1
InChIInChI=1S/C17H17NO5/c1-22-11-8-6-10(7-9-11)17(21)14-12(4-3-5-13(14)19)18-16(20)15(17)23-2/h3-9,15,19,21H,1-2H3,(H,18,20)/t15-,17+/m0/s1
InChIKeyRKXDYKMWUHSLGF-DOTOQJQBSA-N
XLogP1.60
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The IUPAC name of (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (CID 101083381) is (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.
What is the SMILES notation for (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The canonical SMILES for (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is COc1ccc([C@@]2(O)c3c(O)cccc3NC(=O)[C@@H]2OC)cc1.
What is the InChIKey of (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The InChIKey is RKXDYKMWUHSLGF-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-11-8-6-10(7-9-11)17(21)14-12(4-3-5-13(14)19)18-16(20)15(17)23-2/h3-9,15,19,21H,1-2H3,(H,18,20)/t15-,17+/m0/s1.
What are the key properties of (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one has a molecular weight of 315.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 101083381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).