N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide

C18H14N4O — CID 109010987

IUPACN-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cccc3cccnc23)c1
InChIInChI=1S/C18H14N4O/c19-11-13-4-1-7-15(10-13)22-17(23)12-21-16-8-2-5-14-6-3-9-20-18(14)16/h1-10,21H,12H2,(H,22,23)
InChIKeyOWKPIJATUNJDGZ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.16
Rot. Bonds4

About N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide

N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide (PubChem CID 109010987) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
PubChem CID109010987
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
SMILESN#Cc1cccc(NC(=O)CNc2cccc3cccnc23)c1
InChIInChI=1S/C18H14N4O/c19-11-13-4-1-7-15(10-13)22-17(23)12-21-16-8-2-5-14-6-3-9-20-18(14)16/h1-10,21H,12H2,(H,22,23)
InChIKeyOWKPIJATUNJDGZ-UHFFFAOYSA-N
XLogP3.16
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
N-(3-cyanophenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069791
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
N-(3-cyanophenyl)-2-(2-ethoxyanilino)acetamide
CID 9102058
N-(3-cyanophenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109246222
5-(3-cyanoanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200767
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
N-(3-cyanophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109011066
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
N-(3-cyanophenyl)-2-(2-fluoro-4-methylanilino)acetamide
CID 9100932
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide (CID 109010987) is N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide is N#Cc1cccc(NC(=O)CNc2cccc3cccnc23)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide?
The InChIKey is OWKPIJATUNJDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c19-11-13-4-1-7-15(10-13)22-17(23)12-21-16-8-2-5-14-6-3-9-20-18(14)16/h1-10,21H,12H2,(H,22,23).
What are the key properties of N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide?
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide has a molecular weight of 302.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide is sourced from PubChem (CID 109010987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).