N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide

C25H25N3O2 — CID 154972336

IUPACN-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide
SMILESCC(C)=C/C(=C\N(C)C=O)c1ccc2c(c1Cc1ccc(C#N)cc1)CCC(=O)N2
InChIInChI=1S/C25H25N3O2/c1-17(2)12-20(15-28(3)16-29)21-8-10-24-22(9-11-25(30)27-24)23(21)13-18-4-6-19(14-26)7-5-18/h4-8,10,12,15-16H,9,11,13H2,1-3H3,(H,27,30)/b20-15+
InChIKeyARCHXVMLHZKVPY-HMMYKYKNSA-N
MW399.49 g/mol
LogP4.43
Rot. Bonds6

About N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide

N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide (PubChem CID 154972336) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide
PubChem CID154972336
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide
SMILESCC(C)=C/C(=C\N(C)C=O)c1ccc2c(c1Cc1ccc(C#N)cc1)CCC(=O)N2
InChIInChI=1S/C25H25N3O2/c1-17(2)12-20(15-28(3)16-29)21-8-10-24-22(9-11-25(30)27-24)23(21)13-18-4-6-19(14-26)7-5-18/h4-8,10,12,15-16H,9,11,13H2,1-3H3,(H,27,30)/b20-15+
InChIKeyARCHXVMLHZKVPY-HMMYKYKNSA-N
XLogP4.43
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide 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-[(1E)-2-[5-[(2-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide
CID 154972355
6-chloro-5-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 126587601
4-ethyl-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 104716038
2-cyano-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115173172
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]benzonitrile
CID 114940048
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-8-carbonitrile
CID 114827342
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 39858086
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965
(4Z)-4-(dimethylaminomethylidene)-2,5-dioxo-1H-1-benzazepine-8-carbonitrile
CID 67433554
4-[(3-methylbut-2-enylamino)methyl]benzonitrile
CID 103527852
4-[(3-acetyl-5-methyl-1,2-thiazol-4-yl)methyl]benzonitrile
CID 158614149

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide?
The IUPAC name of N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide (CID 154972336) is N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide.
What is the SMILES notation for N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide?
The canonical SMILES for N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide is CC(C)=C/C(=C\N(C)C=O)c1ccc2c(c1Cc1ccc(C#N)cc1)CCC(=O)N2.
What is the InChIKey of N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide?
The InChIKey is ARCHXVMLHZKVPY-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-17(2)12-20(15-28(3)16-29)21-8-10-24-22(9-11-25(30)27-24)23(21)13-18-4-6-19(14-26)7-5-18/h4-8,10,12,15-16H,9,11,13H2,1-3H3,(H,27,30)/b20-15+.
What are the key properties of N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide?
N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide has a molecular weight of 399.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-[5-[(4-cyanophenyl)methyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl]-4-methylpenta-1,3-dienyl]-N-methylformamide is sourced from PubChem (CID 154972336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).