7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one

C20H30N2O3 — CID 54716435

IUPAC7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(O)c2ccc(N(C)C)cc2n(C)c1=O
InChIInChI=1S/C20H30N2O3/c1-5-6-7-8-9-10-13-25-19-18(23)16-12-11-15(21(2)3)14-17(16)22(4)20(19)24/h11-12,14,23H,5-10,13H2,1-4H3
InChIKeyHHVYFYCOTMDUDD-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.05
Rot. Bonds9

About 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one

7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one (PubChem CID 54716435) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one.

Molecular Properties

Compound Name7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
PubChem CID54716435
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(O)c2ccc(N(C)C)cc2n(C)c1=O
InChIInChI=1S/C20H30N2O3/c1-5-6-7-8-9-10-13-25-19-18(23)16-12-11-15(21(2)3)14-17(16)22(4)20(19)24/h11-12,14,23H,5-10,13H2,1-4H3
InChIKeyHHVYFYCOTMDUDD-UHFFFAOYSA-N
XLogP4.05
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.05
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

4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140995435
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591
3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
CID 139718563
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one
CID 15435177
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
CID 139716939
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
7-amino-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 23300684

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The IUPAC name of 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one (CID 54716435) is 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one.
What is the SMILES notation for 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The canonical SMILES for 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one is CCCCCCCCOc1c(O)c2ccc(N(C)C)cc2n(C)c1=O.
What is the InChIKey of 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The InChIKey is HHVYFYCOTMDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-6-7-8-9-10-13-25-19-18(23)16-12-11-15(21(2)3)14-17(16)22(4)20(19)24/h11-12,14,23H,5-10,13H2,1-4H3.
What are the key properties of 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one has a molecular weight of 346.47 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one is sourced from PubChem (CID 54716435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).