7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one

C20H26N2O3 — CID 54736736

IUPAC7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one
SMILESCC(C)=CCCC(C)=CCOc1c(O)c2ccc(N)cc2n(C)c1=O
InChIInChI=1S/C20H26N2O3/c1-13(2)6-5-7-14(3)10-11-25-19-18(23)16-9-8-15(21)12-17(16)22(4)20(19)24/h6,8-10,12,23H,5,7,11,21H2,1-4H3
InChIKeyIKUZUALEQAHFGS-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.90
Rot. Bonds6

About 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one

7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one (PubChem CID 54736736) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one
PubChem CID54736736
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one
SMILESCC(C)=CCCC(C)=CCOc1c(O)c2ccc(N)cc2n(C)c1=O
InChIInChI=1S/C20H26N2O3/c1-13(2)6-5-7-14(3)10-11-25-19-18(23)16-9-8-15(21)12-17(16)22(4)20(19)24/h6,8-10,12,23H,5,7,11,21H2,1-4H3
InChIKeyIKUZUALEQAHFGS-UHFFFAOYSA-N
XLogP3.90
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717305
3-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-1-methylquinolin-2-one
CID 139717292
7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one
CID 23300129
7-amino-3,4-bis(3,7-dimethylocta-2,6-dienoxy)-1-hexylquinolin-2-one
CID 54250246
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-octyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70252670
4-butoxy-7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxy-1-methylquinolin-2-one
CID 139718525
7-butoxy-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1-methylquinolin-2-one
CID 139717322
3-(3,7-dimethylocta-2,6-dienoxy)-1-methyl-4-(3-methylbut-2-enoxy)-7-(octylamino)quinolin-2-one
CID 54152349
7-amino-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-1H-quinolin-2-one
CID 70251836
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139717671
1-butyl-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-7-nitroquinolin-2-one
CID 54713814
1-butyl-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-7-nitroquinolin-2-one
CID 54732578

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one (CID 54736736) is 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one is CC(C)=CCCC(C)=CCOc1c(O)c2ccc(N)cc2n(C)c1=O.
What is the InChIKey of 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one?
The InChIKey is IKUZUALEQAHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)6-5-7-14(3)10-11-25-19-18(23)16-9-8-15(21)12-17(16)22(4)20(19)24/h6,8-10,12,23H,5,7,11,21H2,1-4H3.
What are the key properties of 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one?
7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one has a molecular weight of 342.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(3,7-dimethylocta-2,6-dienoxy)-4-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 54736736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).