(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one

C17H21NO6 — CID 14106217

IUPAC(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCOc1ccc2c3c(c(=O)n(C)c2c1OC)[C@@H](O)[C@H](O)C(C)(C)O3
InChIInChI=1S/C17H21NO6/c1-17(2)15(20)12(19)10-13(24-17)8-6-7-9(22-4)14(23-5)11(8)18(3)16(10)21/h6-7,12,15,19-20H,1-5H3/t12-,15+/m1/s1
InChIKeyKXHMBKASJFMDCK-DOMZBBRYSA-N
MW335.36 g/mol
LogP1.12
Rot. Bonds2

About (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one

(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one (PubChem CID 14106217) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.

Molecular Properties

Compound Name(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
PubChem CID14106217
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one
SMILESCOc1ccc2c3c(c(=O)n(C)c2c1OC)[C@@H](O)[C@H](O)C(C)(C)O3
InChIInChI=1S/C17H21NO6/c1-17(2)15(20)12(19)10-13(24-17)8-6-7-9(22-4)14(23-5)11(8)18(3)16(10)21/h6-7,12,15,19-20H,1-5H3/t12-,15+/m1/s1
InChIKeyKXHMBKASJFMDCK-DOMZBBRYSA-N
XLogP1.12
TPSA90.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The IUPAC name of (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one (CID 14106217) is (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one.
What is the SMILES notation for (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The canonical SMILES for (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one is COc1ccc2c3c(c(=O)n(C)c2c1OC)[C@@H](O)[C@H](O)C(C)(C)O3.
What is the InChIKey of (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
The InChIKey is KXHMBKASJFMDCK-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-17(2)15(20)12(19)10-13(24-17)8-6-7-9(22-4)14(23-5)11(8)18(3)16(10)21/h6-7,12,15,19-20H,1-5H3/t12-,15+/m1/s1.
What are the key properties of (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one?
(3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one has a molecular weight of 335.36 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dihydroxy-7,8-dimethoxy-2,2,6-trimethyl-3,4-dihydropyrano[3,2-c]quinolin-5-one is sourced from PubChem (CID 14106217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).