N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

C18H17N3O2 — CID 90641003

IUPACN-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESN#Cc1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1
InChIInChI=1S/C18H17N3O2/c19-11-13-5-7-14(8-6-13)21-18(22)12-23-17-9-10-20-16-4-2-1-3-15(16)17/h5-10H,1-4,12H2,(H,21,22)
InChIKeyAJVVZXGQCSERTF-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.85
Rot. Bonds4

About N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide

N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (PubChem CID 90641003) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
PubChem CID90641003
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
SMILESN#Cc1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1
InChIInChI=1S/C18H17N3O2/c19-11-13-5-7-14(8-6-13)21-18(22)12-23-17-9-10-20-16-4-2-1-3-15(16)17/h5-10H,1-4,12H2,(H,21,22)
InChIKeyAJVVZXGQCSERTF-UHFFFAOYSA-N
XLogP2.85
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640835
methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
CID 90640857
N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641021
N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640912
2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 90640680
2-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzamide
CID 90640860
N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640899
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
N-(pyrazin-2-ylmethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641029
N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640789
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide (CID 90641003) is N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is N#Cc1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
The InChIKey is AJVVZXGQCSERTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-11-13-5-7-14(8-6-13)21-18(22)12-23-17-9-10-20-16-4-2-1-3-15(16)17/h5-10H,1-4,12H2,(H,21,22).
What are the key properties of N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide?
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide is sourced from PubChem (CID 90641003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).