N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C18H19ClN2O2 — CID 90640789

IUPACN-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)11-21-18(22)12-23-17-9-10-20-16-4-2-1-3-15(16)17/h5-10H,1-4,11-12H2,(H,21,22)
InChIKeyMAJZFGRYZXNJRF-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.31
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90640789) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90640789
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESO=C(COc1ccnc2c1CCCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)11-21-18(22)12-23-17-9-10-20-16-4-2-1-3-15(16)17/h5-10H,1-4,11-12H2,(H,21,22)
InChIKeyMAJZFGRYZXNJRF-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641029
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641076
N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640746
N-octyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640940
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641018
N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640769
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641083
N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
CID 90640857
N-[(4-chlorophenyl)methyl]-2-(2-cyanophenoxy)acetamide
CID 2565510
N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641021
1-piperidin-1-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)ethanone
CID 90640712

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90640789) is N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is O=C(COc1ccnc2c1CCCC2)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is MAJZFGRYZXNJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c19-14-7-5-13(6-8-14)11-21-18(22)12-23-17-9-10-20-16-4-2-1-3-15(16)17/h5-10H,1-4,11-12H2,(H,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 330.81 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90640789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).