2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide

C18H22N2O — CID 175955746

IUPAC2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
SMILESC=CC(C(=O)Nc1cccc2cccnc12)C(CC)CC
InChIInChI=1S/C18H22N2O/c1-4-13(5-2)15(6-3)18(21)20-16-11-7-9-14-10-8-12-19-17(14)16/h6-13,15H,3-5H2,1-2H3,(H,20,21)
InChIKeyWWTPGRNZWCAYJZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.41
Rot. Bonds6

About 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide

2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide (PubChem CID 175955746) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide.

Molecular Properties

Compound Name2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
PubChem CID175955746
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
SMILESC=CC(C(=O)Nc1cccc2cccnc12)C(CC)CC
InChIInChI=1S/C18H22N2O/c1-4-13(5-2)15(6-3)18(21)20-16-11-7-9-14-10-8-12-19-17(14)16/h6-13,15H,3-5H2,1-2H3,(H,20,21)
InChIKeyWWTPGRNZWCAYJZ-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.41
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

1-propyl-3-quinolin-8-ylurea
CID 13078451
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-[(quinolin-8-ylcarbamoylamino)methyl]butanoic acid
CID 65219312
2-ethyl-N-quinolin-8-ylundecanamide
CID 72712401
2-ethyl-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)butanamide
CID 122226925
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
N-quinolin-8-ylhex-3-enamide
CID 151663814
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
N-quinolin-8-ylundecanamide
CID 3567928
(2S,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-quinolin-8-ylpentanamide
CID 11846431

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide?
The IUPAC name of 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide (CID 175955746) is 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide.
What is the SMILES notation for 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide?
The canonical SMILES for 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide is C=CC(C(=O)Nc1cccc2cccnc12)C(CC)CC.
What is the InChIKey of 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide?
The InChIKey is WWTPGRNZWCAYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-13(5-2)15(6-3)18(21)20-16-11-7-9-14-10-8-12-19-17(14)16/h6-13,15H,3-5H2,1-2H3,(H,20,21).
What are the key properties of 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide?
2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide has a molecular weight of 282.39 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide is sourced from PubChem (CID 175955746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).