N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide

C19H14N2O — CID 141483129

IUPACN-[5-(2-phenylethynyl)quinolin-8-yl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2ccccc2)c2cccnc12
InChIInChI=1S/C19H14N2O/c1-14(22)21-18-12-11-16(17-8-5-13-20-19(17)18)10-9-15-6-3-2-4-7-15/h2-8,11-13H,1H3,(H,21,22)
InChIKeyMOFQGLRCEHBSOF-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.59
Rot. Bonds1

About N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide

N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide (PubChem CID 141483129) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-phenylethynyl)quinolin-8-yl]acetamide
PubChem CID141483129
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC NameN-[5-(2-phenylethynyl)quinolin-8-yl]acetamide
SMILESCC(=O)Nc1ccc(C#Cc2ccccc2)c2cccnc12
InChIInChI=1S/C19H14N2O/c1-14(22)21-18-12-11-16(17-8-5-13-20-19(17)18)10-9-15-6-3-2-4-7-15/h2-8,11-13H,1H3,(H,21,22)
InChIKeyMOFQGLRCEHBSOF-UHFFFAOYSA-N
XLogP3.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromoquinolin-8-yl)amino]-2-oxoacetic acid
CID 22742503
2-phenyl-N-(5-phenylquinolin-8-yl)acetamide
CID 141483582
N-[5-[2-(morpholin-4-ylmethyl)phenyl]quinolin-8-yl]acetamide
CID 50964889
N-[5-(benzenesulfonyl)quinolin-8-yl]propanamide
CID 139094633
N-(5-phenylselanylquinolin-8-yl)benzamide
CID 132548337
N-(5-bromoquinolin-8-yl)butanamide
CID 35287139
(8-benzamidoquinolin-5-yl) propanoate
CID 132937572
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
2,2-dimethyl-N-(5-pyrazol-1-ylquinolin-8-yl)propanamide
CID 139187751
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
N-(8-methoxy-4-phenylquinolin-7-yl)acetamide
CID 155168884
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide?
The IUPAC name of N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide (CID 141483129) is N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide.
What is the SMILES notation for N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide?
The canonical SMILES for N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide is CC(=O)Nc1ccc(C#Cc2ccccc2)c2cccnc12.
What is the InChIKey of N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide?
The InChIKey is MOFQGLRCEHBSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-14(22)21-18-12-11-16(17-8-5-13-20-19(17)18)10-9-15-6-3-2-4-7-15/h2-8,11-13H,1H3,(H,21,22).
What are the key properties of N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide?
N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-phenylethynyl)quinolin-8-yl]acetamide is sourced from PubChem (CID 141483129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).