N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide

C15H19N3O2 — CID 18125383

IUPACN-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1ccc2c(c1)CCCN2CC(=O)NCCC#N
InChIInChI=1S/C15H19N3O2/c1-20-13-5-6-14-12(10-13)4-2-9-18(14)11-15(19)17-8-3-7-16/h5-6,10H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyMDMAJJKDOALZPK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.48
Rot. Bonds5

About N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 18125383) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID18125383
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1ccc2c(c1)CCCN2CC(=O)NCCC#N
InChIInChI=1S/C15H19N3O2/c1-20-13-5-6-14-12(10-13)4-2-9-18(14)11-15(19)17-8-3-7-16/h5-6,10H,2-4,8-9,11H2,1H3,(H,17,19)
InChIKeyMDMAJJKDOALZPK-UHFFFAOYSA-N
XLogP1.48
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2-(5-methoxy-2,3-dioxoindol-1-yl)acetamide
CID 61355949
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 34948033
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 34948559
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24561378
2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 46405965
2-(5-methoxy-2,3-dihydroindol-1-yl)-N-(1-phenylcyclobutyl)acetamide
CID 56800420
N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
CID 37202880
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 18125374
methyl 2-(6-cyano-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 122149581
N-(2-cyano-3-methylbutan-2-yl)-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 55682705
2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 37202356
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 56809620

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 18125383) is N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide is COc1ccc2c(c1)CCCN2CC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is MDMAJJKDOALZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-5-6-14-12(10-13)4-2-9-18(14)11-15(19)17-8-3-7-16/h5-6,10H,2-4,8-9,11H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 18125383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).