4-ethyl-1-quinolin-2-ylhex-3-en-2-one

C17H19NO — CID 103458860

IUPAC4-ethyl-1-quinolin-2-ylhex-3-en-2-one
SMILESCCC(=CC(=O)Cc1ccc2ccccc2n1)CC
InChIInChI=1S/C17H19NO/c1-3-13(4-2)11-16(19)12-15-10-9-14-7-5-6-8-17(14)18-15/h5-11H,3-4,12H2,1-2H3
InChIKeyPJYCBTCHTFIISB-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.09
Rot. Bonds5

About 4-ethyl-1-quinolin-2-ylhex-3-en-2-one

4-ethyl-1-quinolin-2-ylhex-3-en-2-one (PubChem CID 103458860) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-ethyl-1-quinolin-2-ylhex-3-en-2-one.

Molecular Properties

Compound Name4-ethyl-1-quinolin-2-ylhex-3-en-2-one
PubChem CID103458860
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name4-ethyl-1-quinolin-2-ylhex-3-en-2-one
SMILESCCC(=CC(=O)Cc1ccc2ccccc2n1)CC
InChIInChI=1S/C17H19NO/c1-3-13(4-2)11-16(19)12-15-10-9-14-7-5-6-8-17(14)18-15/h5-11H,3-4,12H2,1-2H3
InChIKeyPJYCBTCHTFIISB-UHFFFAOYSA-N
XLogP4.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-quinolin-2-ylbut-3-en-2-one
CID 103453640
1-quinolin-2-ylpentan-2-one
CID 28935199
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
3,3-dimethyl-1-quinolin-2-ylpentan-2-one
CID 55103254
1,2-di(quinolin-2-yl)ethanone
CID 24973307
4-methoxy-1-quinolin-2-ylbutan-2-one
CID 43139081
4-amino-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116564666
1-(1-methoxycyclopentyl)-2-quinolin-2-ylethanone
CID 104610088
methyl 2-[methyl-(2-quinolin-2-ylacetyl)amino]acetate
CID 110464188
1-chloro-1,1-difluoro-3-quinolin-2-ylpropan-2-one
CID 112574928
3-amino-4,4,4-trifluoro-3-methyl-1-quinolin-2-ylbutan-2-one
CID 116593146
1-(2-methylsulfanylphenyl)-2-quinolin-2-ylethanone
CID 79213616

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-quinolin-2-ylhex-3-en-2-one?
The IUPAC name of 4-ethyl-1-quinolin-2-ylhex-3-en-2-one (CID 103458860) is 4-ethyl-1-quinolin-2-ylhex-3-en-2-one.
What is the SMILES notation for 4-ethyl-1-quinolin-2-ylhex-3-en-2-one?
The canonical SMILES for 4-ethyl-1-quinolin-2-ylhex-3-en-2-one is CCC(=CC(=O)Cc1ccc2ccccc2n1)CC.
What is the InChIKey of 4-ethyl-1-quinolin-2-ylhex-3-en-2-one?
The InChIKey is PJYCBTCHTFIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-13(4-2)11-16(19)12-15-10-9-14-7-5-6-8-17(14)18-15/h5-11H,3-4,12H2,1-2H3.
What are the key properties of 4-ethyl-1-quinolin-2-ylhex-3-en-2-one?
4-ethyl-1-quinolin-2-ylhex-3-en-2-one has a molecular weight of 253.34 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-quinolin-2-ylhex-3-en-2-one is sourced from PubChem (CID 103458860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).