2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide

C15H14ClN3O2 — CID 43243799

IUPAC2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H14ClN3O2/c1-19(9-3-7-17)14(20)10-21-13-6-5-12(16)11-4-2-8-18-15(11)13/h2,4-6,8H,3,9-10H2,1H3
InChIKeySKHXDDVFWJEHMQ-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.64
Rot. Bonds5

About 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide

2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 43243799) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID43243799
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CCC#N)C(=O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H14ClN3O2/c1-19(9-3-7-17)14(20)10-21-13-6-5-12(16)11-4-2-8-18-15(11)13/h2,4-6,8H,3,9-10H2,1H3
InChIKeySKHXDDVFWJEHMQ-UHFFFAOYSA-N
XLogP2.64
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide;dihydrochloride
CID 119657984
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
3-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380366
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
2-(5-chloroquinolin-8-yl)oxy-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55824024
3-[[2-(5-chloroquinolin-8-yl)oxyacetyl]-ethylamino]propanoic acid
CID 120516814
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
2-(5-chloroquinolin-8-yl)oxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 51190547
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515
2-(1-bromonaphthalen-2-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide
CID 60645400
4-chloro-2-[2-[2-cyanoethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 60676350
heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate;hydrate
CID 66905962

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide (CID 43243799) is 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide is CN(CCC#N)C(=O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is SKHXDDVFWJEHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-19(9-3-7-17)14(20)10-21-13-6-5-12(16)11-4-2-8-18-15(11)13/h2,4-6,8H,3,9-10H2,1H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide?
2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 303.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)oxy-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 43243799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).