4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one

C22H33NO4 — CID 139717001

IUPAC4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(OCCCC)c2ccc(O)cc2n(C)c1=O
InChIInChI=1S/C22H33NO4/c1-4-6-8-9-10-11-15-27-21-20(26-14-7-5-2)18-13-12-17(24)16-19(18)23(3)22(21)25/h12-13,16,24H,4-11,14-15H2,1-3H3
InChIKeyDYSUODJGPKBOLQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.16
Rot. Bonds12

About 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one

4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one (PubChem CID 139717001) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one.

Molecular Properties

Compound Name4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
PubChem CID139717001
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(OCCCC)c2ccc(O)cc2n(C)c1=O
InChIInChI=1S/C22H33NO4/c1-4-6-8-9-10-11-15-27-21-20(26-14-7-5-2)18-13-12-17(24)16-19(18)23(3)22(21)25/h12-13,16,24H,4-11,14-15H2,1-3H3
InChIKeyDYSUODJGPKBOLQ-UHFFFAOYSA-N
XLogP5.16
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
4-hexoxy-7-hydroxy-3-methoxy-1-octylquinolin-2-one
CID 139717871
3-butoxy-7-hydroxy-4-methoxy-1-octylquinolin-2-one
CID 139718323
1-methyl-3-octoxy-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718256
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435
3-butoxy-7-hydroxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139718046
7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one
CID 15435177
7-amino-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 23300684

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The IUPAC name of 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one (CID 139717001) is 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one.
What is the SMILES notation for 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The canonical SMILES for 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one is CCCCCCCCOc1c(OCCCC)c2ccc(O)cc2n(C)c1=O.
What is the InChIKey of 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The InChIKey is DYSUODJGPKBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO4/c1-4-6-8-9-10-11-15-27-21-20(26-14-7-5-2)18-13-12-17(24)16-19(18)23(3)22(21)25/h12-13,16,24H,4-11,14-15H2,1-3H3.
What are the key properties of 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one?
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one has a molecular weight of 375.51 g/mol, XLogP of 5.16, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one is sourced from PubChem (CID 139717001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).