3-butoxy-4-hydroxy-1-methylquinolin-2-one

C14H17NO3 — CID 140995416

IUPAC3-butoxy-4-hydroxy-1-methylquinolin-2-one
SMILESCCCCOc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H17NO3/c1-3-4-9-18-13-12(16)10-7-5-6-8-11(10)15(2)14(13)17/h5-8,16H,3-4,9H2,1-2H3
InChIKeyBACCNKXXIDYDHC-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.42
Rot. Bonds4

About 3-butoxy-4-hydroxy-1-methylquinolin-2-one

3-butoxy-4-hydroxy-1-methylquinolin-2-one (PubChem CID 140995416) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-butoxy-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-butoxy-4-hydroxy-1-methylquinolin-2-one
PubChem CID140995416
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-butoxy-4-hydroxy-1-methylquinolin-2-one
SMILESCCCCOc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C14H17NO3/c1-3-4-9-18-13-12(16)10-7-5-6-8-11(10)15(2)14(13)17/h5-8,16H,3-4,9H2,1-2H3
InChIKeyBACCNKXXIDYDHC-UHFFFAOYSA-N
XLogP2.42
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
benzyl 3-butoxy-4-hydroxy-1-methyl-2-oxoquinoline-6-carboxylate
CID 172794376
5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140995435
4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
3,7-dibutoxy-1-butyl-4-hydroxyquinolin-2-one
CID 139717526
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
CID 54704266
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
CID 54732900
N-(3-butoxy-4-hydroxy-1-methyl-2-oxoquinolin-7-yl)-3-phenylprop-2-enamide
CID 54728800
3-butoxy-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxylic acid
CID 58092870
4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
CID 139716939

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 3-butoxy-4-hydroxy-1-methylquinolin-2-one (CID 140995416) is 3-butoxy-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-butoxy-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 3-butoxy-4-hydroxy-1-methylquinolin-2-one is CCCCOc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of 3-butoxy-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is BACCNKXXIDYDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-4-9-18-13-12(16)10-7-5-6-8-11(10)15(2)14(13)17/h5-8,16H,3-4,9H2,1-2H3.
What are the key properties of 3-butoxy-4-hydroxy-1-methylquinolin-2-one?
3-butoxy-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 140995416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).