4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one

C16H23NO2 — CID 123299008

IUPAC4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one
SMILESCCCCCCC1=CC(=O)NC2C=C(OC)C=CC12
InChIInChI=1S/C16H23NO2/c1-3-4-5-6-7-12-10-16(18)17-15-11-13(19-2)8-9-14(12)15/h8-11,14-15H,3-7H2,1-2H3,(H,17,18)
InChIKeyNZEZTJGPHKEQSJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.10
Rot. Bonds6

About 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one

4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one (PubChem CID 123299008) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one
PubChem CID123299008
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one
SMILESCCCCCCC1=CC(=O)NC2C=C(OC)C=CC12
InChIInChI=1S/C16H23NO2/c1-3-4-5-6-7-12-10-16(18)17-15-11-13(19-2)8-9-14(12)15/h8-11,14-15H,3-7H2,1-2H3,(H,17,18)
InChIKeyNZEZTJGPHKEQSJ-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.10
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

heptane;pyrrole-2,5-dione
CID 159979894
2-(5-undecoxypentyl)bicyclo[2.2.1]hepta-2,5-diene
CID 122400520
ethyl (1S)-2-hexyl-4-oxocyclohex-2-ene-1-carboxylate
CID 99120663
2-decyl-5-methoxycyclohexa-2,5-diene-1,4-dione
CID 15091458
1,3-dihexylcyclopropene
CID 22621674
3-ethyl-2-hydroxy-1,2-dihydropyrrol-5-one
CID 135265082
3-docosylpyrrole-2,5-dione
CID 57312811
3-pentadecylpyrrole-2,5-dione
CID 15598201
2-(decoxymethyl)-5-methoxy-1H-pyridin-4-one
CID 13376046
(1S,4R)-5-octylbicyclo[2.2.2]octa-5,7-diene-2,3-diol
CID 10634454
[(1S)-2-hexylcycloprop-2-en-1-yl]methyl acetate
CID 101205202
7-methoxy-3-pentyl-1,2-dihydroquinolin-2-ol
CID 90058164

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one (CID 123299008) is 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one is CCCCCCC1=CC(=O)NC2C=C(OC)C=CC12.
What is the InChIKey of 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one?
The InChIKey is NZEZTJGPHKEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-4-5-6-7-12-10-16(18)17-15-11-13(19-2)8-9-14(12)15/h8-11,14-15H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one?
4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one has a molecular weight of 261.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-7-methoxy-4a,8a-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 123299008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).