6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one

C17H22FNO — CID 44531096

IUPAC6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one
SMILESCCCCCCCc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C17H22FNO/c1-3-4-5-6-7-8-14-12(2)19-16-10-9-13(18)11-15(16)17(14)20/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyUDGNDLMGSPMGSG-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.49
Rot. Bonds6

About 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one

6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one (PubChem CID 44531096) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one
PubChem CID44531096
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one
SMILESCCCCCCCc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C17H22FNO/c1-3-4-5-6-7-8-14-12(2)19-16-10-9-13(18)11-15(16)17(14)20/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyUDGNDLMGSPMGSG-UHFFFAOYSA-N
XLogP4.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2'-Aminoacetophenone
CID 11086
4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2-N-Nonyl-4-Quinolone
CID 9856730
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
2-Heptyl-3-hydroxy-4-quinolone
CID 2763159
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
2-Phenyl-4-oxohydroquinoline
CID 161091
Aurachin D
CID 6124753
2-heptyl-4-hydroxyquinoline N-oxide
CID 1561

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one (CID 44531096) is 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one is CCCCCCCc1c(C)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one?
The InChIKey is UDGNDLMGSPMGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c1-3-4-5-6-7-8-14-12(2)19-16-10-9-13(18)11-15(16)17(14)20/h9-11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one?
6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one has a molecular weight of 275.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-heptyl-2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 44531096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).