6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one

C14H17NO3 — CID 91528975

IUPAC6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one
SMILESCC(C)(O)CCc1cc(=O)c2cc(O)ccc2[nH]1
InChIInChI=1S/C14H17NO3/c1-14(2,18)6-5-9-7-13(17)11-8-10(16)3-4-12(11)15-9/h3-4,7-8,16,18H,5-6H2,1-2H3,(H,15,17)
InChIKeyZMLVZOLWYXOOAB-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.94
Rot. Bonds3

About 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one

6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one (PubChem CID 91528975) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one
PubChem CID91528975
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one
SMILESCC(C)(O)CCc1cc(=O)c2cc(O)ccc2[nH]1
InChIInChI=1S/C14H17NO3/c1-14(2,18)6-5-9-7-13(17)11-8-10(16)3-4-12(11)15-9/h3-4,7-8,16,18H,5-6H2,1-2H3,(H,15,17)
InChIKeyZMLVZOLWYXOOAB-UHFFFAOYSA-N
XLogP1.94
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one?
The IUPAC name of 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one (CID 91528975) is 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one.
What is the SMILES notation for 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one?
The canonical SMILES for 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one is CC(C)(O)CCc1cc(=O)c2cc(O)ccc2[nH]1.
What is the InChIKey of 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one?
The InChIKey is ZMLVZOLWYXOOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(2,18)6-5-9-7-13(17)11-8-10(16)3-4-12(11)15-9/h3-4,7-8,16,18H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one?
6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one has a molecular weight of 247.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(3-hydroxy-3-methylbutyl)-1H-quinolin-4-one is sourced from PubChem (CID 91528975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).