N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide

C20H18N2O2 — CID 25115005

IUPACN-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide
SMILESC=C(C(=O)NCc1ccc(OC)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C20H18N2O2/c1-14(16-7-10-19-17(12-16)4-3-11-21-19)20(23)22-13-15-5-8-18(24-2)9-6-15/h3-12H,1,13H2,2H3,(H,22,23)
InChIKeyOECOUVUWMHZVIA-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.57
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide

N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide (PubChem CID 25115005) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide
PubChem CID25115005
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide
SMILESC=C(C(=O)NCc1ccc(OC)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C20H18N2O2/c1-14(16-7-10-19-17(12-16)4-3-11-21-19)20(23)22-13-15-5-8-18(24-2)9-6-15/h3-12H,1,13H2,2H3,(H,22,23)
InChIKeyOECOUVUWMHZVIA-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
CID 58387946
N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
CID 89311572
N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 58388068
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
ethene;6-methoxyquinoline
CID 174599262
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide (CID 25115005) is N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide is C=C(C(=O)NCc1ccc(OC)cc1)c1ccc2ncccc2c1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide?
The InChIKey is OECOUVUWMHZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14(16-7-10-19-17(12-16)4-3-11-21-19)20(23)22-13-15-5-8-18(24-2)9-6-15/h3-12H,1,13H2,2H3,(H,22,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide?
N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide has a molecular weight of 318.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide is sourced from PubChem (CID 25115005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).