7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one

C21H29NO4 — CID 166529801

IUPAC7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one
SMILESCCCCCCOc1ccc2c(=O)cc(OCC3CCCCO3)[nH]c2c1
InChIInChI=1S/C21H29NO4/c1-2-3-4-6-11-24-16-9-10-18-19(13-16)22-21(14-20(18)23)26-15-17-8-5-7-12-25-17/h9-10,13-14,17H,2-8,11-12,15H2,1H3,(H,22,23)
InChIKeyGPUYAZWUZLUCJF-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.44
Rot. Bonds9

About 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one

7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one (PubChem CID 166529801) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one
PubChem CID166529801
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one
SMILESCCCCCCOc1ccc2c(=O)cc(OCC3CCCCO3)[nH]c2c1
InChIInChI=1S/C21H29NO4/c1-2-3-4-6-11-24-16-9-10-18-19(13-16)22-21(14-20(18)23)26-15-17-8-5-7-12-25-17/h9-10,13-14,17H,2-8,11-12,15H2,1H3,(H,22,23)
InChIKeyGPUYAZWUZLUCJF-UHFFFAOYSA-N
XLogP4.44
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-2-ylmethoxy)-7-(4-propylphenyl)-1H-quinolin-4-one
CID 166530031
3-butyl-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530053
2-(oxolan-2-ylmethoxy)-9H-carbazole
CID 156775567
2-(1,4-dioxan-2-ylmethoxy)-7-(4-ethoxyphenyl)-1H-quinolin-4-one
CID 166529900
2-[2-(4-ethoxyphenyl)ethynyl]-6-(oxan-2-ylmethoxy)-4-oxo-1H-pyridine-3-carbonitrile
CID 176645116
3-(methylamino)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530038
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366
3-(1-methylpyrrol-3-yl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166529871
6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-3-pyridin-4-yl-1H-pyridin-4-one
CID 166529992
3-(2-methylphenyl)-6-(oxan-2-ylmethoxy)-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-4-one
CID 166530024
N-(4-heptoxyphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821326
methyl 2-[4-[6-[[(2R)-oxan-2-yl]methoxy]-4-oxo-2-[2-(4-propylphenyl)ethyl]-1H-pyridin-3-yl]phenoxy]acetate
CID 166530000

Frequently Asked Questions

What is the IUPAC name of 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one?
The IUPAC name of 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one (CID 166529801) is 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one?
The canonical SMILES for 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one is CCCCCCOc1ccc2c(=O)cc(OCC3CCCCO3)[nH]c2c1.
What is the InChIKey of 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one?
The InChIKey is GPUYAZWUZLUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-2-3-4-6-11-24-16-9-10-18-19(13-16)22-21(14-20(18)23)26-15-17-8-5-7-12-25-17/h9-10,13-14,17H,2-8,11-12,15H2,1H3,(H,22,23).
What are the key properties of 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one?
7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one has a molecular weight of 359.47 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexoxy-2-(oxan-2-ylmethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 166529801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).