N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

C23H23N3O2 — CID 52698958

IUPACN-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C23H23N3O2/c1-16-20-10-3-4-11-22(20)25-17(2)21(16)15-23(27)26-18-8-7-9-19(14-18)28-13-6-5-12-24/h3-4,7-11,14H,5-6,13,15H2,1-2H3,(H,26,27)
InChIKeyPFAFHROSMOHXQL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.72
Rot. Bonds7

About N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide

N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 52698958) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID52698958
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(OCCCC#N)c1
InChIInChI=1S/C23H23N3O2/c1-16-20-10-3-4-11-22(20)25-17(2)21(16)15-23(27)26-18-8-7-9-19(14-18)28-13-6-5-12-24/h3-4,7-11,14H,5-6,13,15H2,1-2H3,(H,26,27)
InChIKeyPFAFHROSMOHXQL-UHFFFAOYSA-N
XLogP4.72
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
CID 39230533
N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
2-(2,4-dimethylquinolin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 17393557
4-[3-(3-cyanopropoxy)anilino]-4-oxobutanoic acid
CID 60933599
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 60532359
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110
N-[3-(3-cyanopropoxy)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55960734
N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-N-methylbenzamide
CID 55879730
N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
CID 36561953
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(3-cyanopropoxy)phenyl]acetamide
CID 60532547
N-[4-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55880244

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 52698958) is N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(OCCCC#N)c1.
What is the InChIKey of N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is PFAFHROSMOHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-16-20-10-3-4-11-22(20)25-17(2)21(16)15-23(27)26-18-8-7-9-19(14-18)28-13-6-5-12-24/h3-4,7-11,14H,5-6,13,15H2,1-2H3,(H,26,27).
What are the key properties of N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 52698958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).