4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one

C19H27NO4 — CID 171123167

IUPAC4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC/C(=C\COC1CC(=O)Nc2ccccc21)CCC(O)C(C)(C)O
InChIInChI=1S/C19H27NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,16-17,21,23H,8-9,11-12H2,1-3H3,(H,20,22)/b13-10+
InChIKeyVETWRDMEIGEBCG-JLHYYAGUSA-N
MW333.43 g/mol
LogP2.94
Rot. Bonds7

About 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one

4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171123167) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID171123167
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESC/C(=C\COC1CC(=O)Nc2ccccc21)CCC(O)C(C)(C)O
InChIInChI=1S/C19H27NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,16-17,21,23H,8-9,11-12H2,1-3H3,(H,20,22)/b13-10+
InChIKeyVETWRDMEIGEBCG-JLHYYAGUSA-N
XLogP2.94
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one (CID 171123167) is 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one is C/C(=C\COC1CC(=O)Nc2ccccc21)CCC(O)C(C)(C)O.
What is the InChIKey of 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VETWRDMEIGEBCG-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H27NO4/c1-13(8-9-17(21)19(2,3)23)10-11-24-16-12-18(22)20-15-7-5-4-6-14(15)16/h4-7,10,16-17,21,23H,8-9,11-12H2,1-3H3,(H,20,22)/b13-10+.
What are the key properties of 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one?
4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 333.43 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171123167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).