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

C20H30N2O3 — CID 140995435

IUPAC5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(O)c2c(N(C)C)cccc2n(C)c1=O
InChIInChI=1S/C20H30N2O3/c1-5-6-7-8-9-10-14-25-19-18(23)17-15(21(2)3)12-11-13-16(17)22(4)20(19)24/h11-13,23H,5-10,14H2,1-4H3
InChIKeyCKLHCLBXXKBDFT-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.05
Rot. Bonds9

About 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one

5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one (PubChem CID 140995435) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
PubChem CID140995435
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
SMILESCCCCCCCCOc1c(O)c2c(N(C)C)cccc2n(C)c1=O
InChIInChI=1S/C20H30N2O3/c1-5-6-7-8-9-10-14-25-19-18(23)17-15(21(2)3)12-11-13-16(17)22(4)20(19)24/h11-13,23H,5-10,14H2,1-4H3
InChIKeyCKLHCLBXXKBDFT-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
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one
CID 140979750
5-amino-7-benzoyl-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 172729096
4-hydroxy-1-methyl-3-octoxy-8-prop-1-enoxyquinolin-2-one
CID 57116765
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591
3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
CID 139718563
5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 140979734
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one
CID 15435177

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The IUPAC name of 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one (CID 140995435) is 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one.
What is the SMILES notation for 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The canonical SMILES for 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one is CCCCCCCCOc1c(O)c2c(N(C)C)cccc2n(C)c1=O.
What is the InChIKey of 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
The InChIKey is CKLHCLBXXKBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-5-6-7-8-9-10-14-25-19-18(23)17-15(21(2)3)12-11-13-16(17)22(4)20(19)24/h11-13,23H,5-10,14H2,1-4H3.
What are the key properties of 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one?
5-(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 5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one is sourced from PubChem (CID 140995435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).