4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one

C18H25NO4 — CID 139716939

IUPAC4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
SMILESCCCCOc1ccc2c(OCCCC)c(O)c(=O)n(C)c2c1
InChIInChI=1S/C18H25NO4/c1-4-6-10-22-13-8-9-14-15(12-13)19(3)18(21)16(20)17(14)23-11-7-5-2/h8-9,12,20H,4-7,10-11H2,1-3H3
InChIKeyVDKQKIQIKUIUHJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.60
Rot. Bonds8

About 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one

4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one (PubChem CID 139716939) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
PubChem CID139716939
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
SMILESCCCCOc1ccc2c(OCCCC)c(O)c(=O)n(C)c2c1
InChIInChI=1S/C18H25NO4/c1-4-6-10-22-13-8-9-14-15(12-13)19(3)18(21)16(20)17(14)23-11-7-5-2/h8-9,12,20H,4-7,10-11H2,1-3H3
InChIKeyVDKQKIQIKUIUHJ-UHFFFAOYSA-N
XLogP3.60
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073
7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one
CID 15435177
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxy-1-methylquinolin-2-one
CID 139718525
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
3,7-dibutoxy-1-butyl-4-hydroxyquinolin-2-one
CID 139717526
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
CID 139718425
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
4-butoxy-1-methyl-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139717135
1-hexyl-3,4-dihydroxy-7-octoxyquinolin-2-one
CID 139718059
3,4-dihydroxy-7-octoxy-1-octylquinolin-2-one
CID 139718130

Frequently Asked Questions

What is the IUPAC name of 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one (CID 139716939) is 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one is CCCCOc1ccc2c(OCCCC)c(O)c(=O)n(C)c2c1.
What is the InChIKey of 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one?
The InChIKey is VDKQKIQIKUIUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-6-10-22-13-8-9-14-15(12-13)19(3)18(21)16(20)17(14)23-11-7-5-2/h8-9,12,20H,4-7,10-11H2,1-3H3.
What are the key properties of 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one?
4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one has a molecular weight of 319.40 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 139716939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).