4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one

C20H25NO3 — CID 177460214

IUPAC4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one
SMILESC/C(=C\COc1cc(=O)n(C)c2ccccc12)C/C=C/C(C)(C)O
InChIInChI=1S/C20H25NO3/c1-15(8-7-12-20(2,3)23)11-13-24-18-14-19(22)21(4)17-10-6-5-9-16(17)18/h5-7,9-12,14,23H,8,13H2,1-4H3/b12-7+,15-11+
InChIKeyUACOTRYHNWCXII-BQNYFXIZSA-N
MW327.42 g/mol
LogP3.58
Rot. Bonds6

About 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one

4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one (PubChem CID 177460214) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one
PubChem CID177460214
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one
SMILESC/C(=C\COc1cc(=O)n(C)c2ccccc12)C/C=C/C(C)(C)O
InChIInChI=1S/C20H25NO3/c1-15(8-7-12-20(2,3)23)11-13-24-18-14-19(22)21(4)17-10-6-5-9-16(17)18/h5-7,9-12,14,23H,8,13H2,1-4H3/b12-7+,15-11+
InChIKeyUACOTRYHNWCXII-BQNYFXIZSA-N
XLogP3.58
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one with MolForge

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Related Compounds

1-hydroxy-4-(3-methylbut-2-enoxy)quinolin-2-one
CID 140979702
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
8-[4-(3-hydroxyprop-1-enyl)-2,6-dimethoxyphenoxy]-2,6-dimethylocta-3,6-dien-2-ol
CID 162990839
4-[(2-bromophenyl)methoxy]-1-methylquinolin-2-one
CID 12031180
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 6622314
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethoxy]-1-methylquinolin-2-one
CID 3244800
N-[(2,4-dimethoxyphenyl)methyl]-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861851
(1-methyl-2-oxoquinolin-4-yl) N-methylcarbamate
CID 2786360
N-(5-chloro-2-pyridinyl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861847
N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide
CID 20862014
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862044

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one?
The IUPAC name of 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one (CID 177460214) is 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one?
The canonical SMILES for 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one is C/C(=C\COc1cc(=O)n(C)c2ccccc12)C/C=C/C(C)(C)O.
What is the InChIKey of 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one?
The InChIKey is UACOTRYHNWCXII-BQNYFXIZSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(8-7-12-20(2,3)23)11-13-24-18-14-19(22)21(4)17-10-6-5-9-16(17)18/h5-7,9-12,14,23H,8,13H2,1-4H3/b12-7+,15-11+.
What are the key properties of 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one?
4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one has a molecular weight of 327.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-1-methylquinolin-2-one is sourced from PubChem (CID 177460214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).