1-tetradecanoyl-2,3-dihydroquinolin-4-one

C23H35NO2 — CID 57163991

IUPAC1-tetradecanoyl-2,3-dihydroquinolin-4-one
SMILESCCCCCCCCCCCCCC(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(26)24-19-18-22(25)20-15-13-14-16-21(20)24/h13-16H,2-12,17-19H2,1H3
InChIKeyIPVFAVFDDMCPRS-UHFFFAOYSA-N
MW357.54 g/mol
LogP6.31
Rot. Bonds12

About 1-tetradecanoyl-2,3-dihydroquinolin-4-one

1-tetradecanoyl-2,3-dihydroquinolin-4-one (PubChem CID 57163991) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-tetradecanoyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-tetradecanoyl-2,3-dihydroquinolin-4-one
PubChem CID57163991
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name1-tetradecanoyl-2,3-dihydroquinolin-4-one
SMILESCCCCCCCCCCCCCC(=O)N1CCC(=O)c2ccccc21
InChIInChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(26)24-19-18-22(25)20-15-13-14-16-21(20)24/h13-16H,2-12,17-19H2,1H3
InChIKeyIPVFAVFDDMCPRS-UHFFFAOYSA-N
XLogP6.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
1-(4-amino-2,3-dihydroindol-1-yl)nonan-1-one
CID 65448727
1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
CID 110612549
1-[6-(2,3-dihydroindol-1-yl)-6-oxohexyl]-3-octadecylurea
CID 23574254
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(3-methylsulfanylpropanoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336610
1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)hexan-1-one
CID 55178426
3-(9H-fluoren-9-yl)-1-nonanoylpyrrolidin-2-one
CID 171352846
1-[2-(4-methoxyphenyl)acetyl]-2,3-dihydroquinolin-4-one
CID 110424740

Frequently Asked Questions

What is the IUPAC name of 1-tetradecanoyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-tetradecanoyl-2,3-dihydroquinolin-4-one (CID 57163991) is 1-tetradecanoyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-tetradecanoyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-tetradecanoyl-2,3-dihydroquinolin-4-one is CCCCCCCCCCCCCC(=O)N1CCC(=O)c2ccccc21.
What is the InChIKey of 1-tetradecanoyl-2,3-dihydroquinolin-4-one?
The InChIKey is IPVFAVFDDMCPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(26)24-19-18-22(25)20-15-13-14-16-21(20)24/h13-16H,2-12,17-19H2,1H3.
What are the key properties of 1-tetradecanoyl-2,3-dihydroquinolin-4-one?
1-tetradecanoyl-2,3-dihydroquinolin-4-one has a molecular weight of 357.54 g/mol, XLogP of 6.31, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecanoyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 57163991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).