5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide

C22H21N3O2 — CID 75396943

IUPAC5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide
SMILESCc1cc(NC(=O)CCCCOc2cccc(C#N)c2)c2ncccc2c1
InChIInChI=1S/C22H21N3O2/c1-16-12-18-7-5-10-24-22(18)20(13-16)25-21(26)9-2-3-11-27-19-8-4-6-17(14-19)15-23/h4-8,10,12-14H,2-3,9,11H2,1H3,(H,25,26)
InChIKeyUQQMRSZAXMZDKE-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.60
Rot. Bonds7

About 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide

5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide (PubChem CID 75396943) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide.

Molecular Properties

Compound Name5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide
PubChem CID75396943
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide
SMILESCc1cc(NC(=O)CCCCOc2cccc(C#N)c2)c2ncccc2c1
InChIInChI=1S/C22H21N3O2/c1-16-12-18-7-5-10-24-22(18)20(13-16)25-21(26)9-2-3-11-27-19-8-4-6-17(14-19)15-23/h4-8,10,12-14H,2-3,9,11H2,1H3,(H,25,26)
InChIKeyUQQMRSZAXMZDKE-UHFFFAOYSA-N
XLogP4.60
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.60
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

N-(6-methylquinolin-8-yl)-2-phenoxyacetamide
CID 110715572
3-(5-oxohexoxy)benzonitrile
CID 62030651
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
3-(N-acetyl-3-cyanoanilino)-N-quinolin-8-ylpropanamide
CID 113134986
7-(diethylamino)-4-methyl-N-(6-methylquinolin-8-yl)heptanamide
CID 163526669
N-quinolin-8-ylundecanamide
CID 3567928
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
2,6-dimethoxy-N-(6-methylquinolin-8-yl)benzamide
CID 110715570
3-[8-[(4-methylphenyl)sulfanylamino]quinolin-6-yl]oxybenzonitrile
CID 145018951
2-(3-cyanophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 75479938
N-(2-bromo-4-methylphenyl)-2-(3-cyanophenoxy)acetamide
CID 2591410
2-(3-cyanophenoxy)-N-(2-fluoro-4-methylphenyl)acetamide
CID 7964016

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide?
The IUPAC name of 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide (CID 75396943) is 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide.
What is the SMILES notation for 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide?
The canonical SMILES for 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide is Cc1cc(NC(=O)CCCCOc2cccc(C#N)c2)c2ncccc2c1.
What is the InChIKey of 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide?
The InChIKey is UQQMRSZAXMZDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-12-18-7-5-10-24-22(18)20(13-16)25-21(26)9-2-3-11-27-19-8-4-6-17(14-19)15-23/h4-8,10,12-14H,2-3,9,11H2,1H3,(H,25,26).
What are the key properties of 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide?
5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide has a molecular weight of 359.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyanophenoxy)-N-(6-methylquinolin-8-yl)pentanamide is sourced from PubChem (CID 75396943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).