6-pentoxy-3,4-dihydro-1H-quinolin-2-one

C14H19NO2 — CID 42598028

IUPAC6-pentoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19NO2/c1-2-3-4-9-17-12-6-7-13-11(10-12)5-8-14(16)15-13/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyHPQNLAGZTFKCCY-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.14
Rot. Bonds5

About 6-pentoxy-3,4-dihydro-1H-quinolin-2-one

6-pentoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 42598028) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-pentoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-pentoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID42598028
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-pentoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H19NO2/c1-2-3-4-9-17-12-6-7-13-11(10-12)5-8-14(16)15-13/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyHPQNLAGZTFKCCY-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-octoxy-1,3-dihydroindol-2-one
CID 143867556
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88692964
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111057766
5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]pentanehydrazide
CID 63576665
6-[4-(4-tert-butylphenyl)sulfonylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 70558157
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111057765
N-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 86580849
6-(4-methylsulfanyliminobutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 173420924

Frequently Asked Questions

What is the IUPAC name of 6-pentoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-pentoxy-3,4-dihydro-1H-quinolin-2-one (CID 42598028) is 6-pentoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-pentoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-pentoxy-3,4-dihydro-1H-quinolin-2-one is CCCCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-pentoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is HPQNLAGZTFKCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-4-9-17-12-6-7-13-11(10-12)5-8-14(16)15-13/h6-7,10H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of 6-pentoxy-3,4-dihydro-1H-quinolin-2-one?
6-pentoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 42598028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).