7-(5-methylhexoxy)-1H-quinolin-2-one

C16H21NO2 — CID 137474488

IUPAC7-(5-methylhexoxy)-1H-quinolin-2-one
SMILESCC(C)CCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C16H21NO2/c1-12(2)5-3-4-10-19-14-8-6-13-7-9-16(18)17-15(13)11-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyIXIWEWJHGOEGSA-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.73
Rot. Bonds6

About 7-(5-methylhexoxy)-1H-quinolin-2-one

7-(5-methylhexoxy)-1H-quinolin-2-one (PubChem CID 137474488) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 7-(5-methylhexoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(5-methylhexoxy)-1H-quinolin-2-one
PubChem CID137474488
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name7-(5-methylhexoxy)-1H-quinolin-2-one
SMILESCC(C)CCCCOc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C16H21NO2/c1-12(2)5-3-4-10-19-14-8-6-13-7-9-16(18)17-15(13)11-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyIXIWEWJHGOEGSA-UHFFFAOYSA-N
XLogP3.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.73
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

ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
7-[5-(hydroxyamino)pentoxy]-1H-quinolin-2-one
CID 118707059
7-ethoxy-1H-quinolin-2-one
CID 123474288
7-[4-(4-methylpiperazin-1-yl)butoxy]-1H-quinolin-2-one
CID 172693991
7-(4-pyrrolidin-1-ylbutoxy)-1H-quinolin-2-one
CID 175845391
7-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]-1H-quinolin-2-one
CID 177262317
7-[4-[4-(2-propan-2-yloxyphenyl)-1,4-diazepan-1-yl]butoxy]-1H-quinolin-2-one
CID 56599011
6-(2-chloroethoxy)-1H-quinolin-2-one
CID 20540025
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-1H-quinolin-2-one
CID 15831364
7-(2-hydroxy-3-methanidyloxypropoxy)-1H-quinolin-2-one;methanol;rutherfordium
CID 177262297
7-(4,5,5-trimethylhexan-2-yloxy)-1H-quinolin-2-one
CID 137474361
7-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butoxy]-1H-quinolin-2-one
CID 10812321

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylhexoxy)-1H-quinolin-2-one?
The IUPAC name of 7-(5-methylhexoxy)-1H-quinolin-2-one (CID 137474488) is 7-(5-methylhexoxy)-1H-quinolin-2-one.
What is the SMILES notation for 7-(5-methylhexoxy)-1H-quinolin-2-one?
The canonical SMILES for 7-(5-methylhexoxy)-1H-quinolin-2-one is CC(C)CCCCOc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-(5-methylhexoxy)-1H-quinolin-2-one?
The InChIKey is IXIWEWJHGOEGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)5-3-4-10-19-14-8-6-13-7-9-16(18)17-15(13)11-14/h6-9,11-12H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 7-(5-methylhexoxy)-1H-quinolin-2-one?
7-(5-methylhexoxy)-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylhexoxy)-1H-quinolin-2-one is sourced from PubChem (CID 137474488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).