2,2-dimethyl-N-quinolin-8-ylpent-4-enamide

C16H18N2O — CID 170781883

IUPAC2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
SMILESC=CCC(C)(C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H18N2O/c1-4-10-16(2,3)15(19)18-13-9-5-7-12-8-6-11-17-14(12)13/h4-9,11H,1,10H2,2-3H3,(H,18,19)
InChIKeyOABCSJULHXPFOK-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.78
Rot. Bonds4

About 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide

2,2-dimethyl-N-quinolin-8-ylpent-4-enamide (PubChem CID 170781883) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide.

Molecular Properties

Compound Name2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
PubChem CID170781883
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
SMILESC=CCC(C)(C)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C16H18N2O/c1-4-10-16(2,3)15(19)18-13-9-5-7-12-8-6-11-17-14(12)13/h4-9,11H,1,10H2,2-3H3,(H,18,19)
InChIKeyOABCSJULHXPFOK-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.78
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

(E)-5-(4-ethylphenyl)-2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 132571626
[2,2-dimethyl-3-oxo-3-(quinolin-8-ylamino)propyl] acetate
CID 177454092
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2,2-dimethyl-N-quinolin-8-yl-5-tri(propan-2-yl)silylpent-4-ynamide
CID 132918884
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-methyl-6-(prop-2-enylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109361326
2,2-dimethyl-N-(2-propan-2-ylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108968465
2-ethenyl-3-ethyl-N-quinolin-8-ylpentanamide
CID 175955746
N-quinolin-8-ylhex-3-enamide
CID 151663814
N-(4-tert-butylphenyl)-N'-quinolin-8-ylpropanediamide
CID 108954735

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide?
The IUPAC name of 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide (CID 170781883) is 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide.
What is the SMILES notation for 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide?
The canonical SMILES for 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide is C=CCC(C)(C)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide?
The InChIKey is OABCSJULHXPFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-4-10-16(2,3)15(19)18-13-9-5-7-12-8-6-11-17-14(12)13/h4-9,11H,1,10H2,2-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide?
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide has a molecular weight of 254.33 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-quinolin-8-ylpent-4-enamide is sourced from PubChem (CID 170781883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).