2-quinolin-2-ylhex-5-enamide

C15H16N2O — CID 139684131

IUPAC2-quinolin-2-ylhex-5-enamide
SMILESC=CCCC(C(N)=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2O/c1-2-3-7-12(15(16)18)14-10-9-11-6-4-5-8-13(11)17-14/h2,4-6,8-10,12H,1,3,7H2,(H2,16,18)
InChIKeyYLFGUTOYQMOXHB-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.77
Rot. Bonds5

About 2-quinolin-2-ylhex-5-enamide

2-quinolin-2-ylhex-5-enamide (PubChem CID 139684131) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-quinolin-2-ylhex-5-enamide.

Molecular Properties

Compound Name2-quinolin-2-ylhex-5-enamide
PubChem CID139684131
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-quinolin-2-ylhex-5-enamide
SMILESC=CCCC(C(N)=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2O/c1-2-3-7-12(15(16)18)14-10-9-11-6-4-5-8-13(11)17-14/h2,4-6,8-10,12H,1,3,7H2,(H2,16,18)
InChIKeyYLFGUTOYQMOXHB-UHFFFAOYSA-N
XLogP2.77
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
methyl 2-quinolin-2-ylhexanoate
CID 116645151
1-quinolin-2-ylprop-2-en-1-ol
CID 65416491
1-quinolin-2-ylbut-3-enylhydrazine
CID 105218718
N-methyl-1-quinolin-2-yloct-7-en-1-amine
CID 107009092
methyl 4-methyl-2-quinolin-2-ylpentanoate
CID 174662465
(1R)-1-quinolin-2-ylbutane-1,4-diamine
CID 171216930
(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
amino(quinolin-2-yl)methanol
CID 154237779
(2S)-2-phenylhex-5-enoic acid
CID 92982258
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylhex-5-enamide?
The IUPAC name of 2-quinolin-2-ylhex-5-enamide (CID 139684131) is 2-quinolin-2-ylhex-5-enamide.
What is the SMILES notation for 2-quinolin-2-ylhex-5-enamide?
The canonical SMILES for 2-quinolin-2-ylhex-5-enamide is C=CCCC(C(N)=O)c1ccc2ccccc2n1.
What is the InChIKey of 2-quinolin-2-ylhex-5-enamide?
The InChIKey is YLFGUTOYQMOXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-3-7-12(15(16)18)14-10-9-11-6-4-5-8-13(11)17-14/h2,4-6,8-10,12H,1,3,7H2,(H2,16,18).
What are the key properties of 2-quinolin-2-ylhex-5-enamide?
2-quinolin-2-ylhex-5-enamide has a molecular weight of 240.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylhex-5-enamide is sourced from PubChem (CID 139684131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).