1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one

C14H15NO3 — CID 140979702

IUPAC1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
SMILESCC(C)=CCOc1cc(=O)n(O)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-10(2)7-8-18-13-9-14(16)15(17)12-6-4-3-5-11(12)13/h3-7,9,17H,8H2,1-2H3
InChIKeyJEPQFBBELXNANH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.58
Rot. Bonds3

About 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one

1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one (PubChem CID 140979702) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one.

Molecular Properties

Compound Name1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
PubChem CID140979702
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
SMILESCC(C)=CCOc1cc(=O)n(O)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-10(2)7-8-18-13-9-14(16)15(17)12-6-4-3-5-11(12)13/h3-7,9,17H,8H2,1-2H3
InChIKeyJEPQFBBELXNANH-UHFFFAOYSA-N
XLogP2.58
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-1-hydroxyquinolin-2-one
CID 140979704
4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one
CID 177460214
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
2-[[4-(3-methylbut-2-enoxy)quinolin-2-yl]amino]-1,3-dioxane-4,6-dione
CID 150155139
3-(3-methylbut-2-enoxy)naphthalen-2-ol
CID 43143628
1-hydroxy-4-(trifluoromethyl)quinolin-2-one
CID 141055492
1-(3-methylbut-2-enoxy)anthracene-9,10-dione
CID 86244771
ethane;9-hydroxycarbazole
CID 153391260
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 6622314
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one?
The IUPAC name of 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one (CID 140979702) is 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one.
What is the SMILES notation for 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one?
The canonical SMILES for 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one is CC(C)=CCOc1cc(=O)n(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one?
The InChIKey is JEPQFBBELXNANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10(2)7-8-18-13-9-14(16)15(17)12-6-4-3-5-11(12)13/h3-7,9,17H,8H2,1-2H3.
What are the key properties of 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one?
1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one has a molecular weight of 245.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one is sourced from PubChem (CID 140979702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).