8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one

C16H21NO5 — CID 2837663

IUPAC8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12
InChIInChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3
InChIKeyIUPYLWAXGAJZQC-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.06
Rot. Bonds5

About 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one

8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one (PubChem CID 2837663) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one
PubChem CID2837663
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one
SMILESCOc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12
InChIInChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3
InChIKeyIUPYLWAXGAJZQC-UHFFFAOYSA-N
XLogP1.06
TPSA80.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one?
The IUPAC name of 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one (CID 2837663) is 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one is COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12.
What is the InChIKey of 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one?
The InChIKey is IUPYLWAXGAJZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3.
What are the key properties of 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one?
8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one has a molecular weight of 307.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 2837663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).