N-(2-cyanoquinolin-8-yl)acetamide

C12H9N3O — CID 139830356

IUPACN-(2-cyanoquinolin-8-yl)acetamide
SMILESCC(=O)Nc1cccc2ccc(C#N)nc12
InChIInChI=1S/C12H9N3O/c1-8(16)14-11-4-2-3-9-5-6-10(7-13)15-12(9)11/h2-6H,1H3,(H,14,16)
InChIKeyKDSOJWQMIGLQER-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.06
Rot. Bonds1

About N-(2-cyanoquinolin-8-yl)acetamide

N-(2-cyanoquinolin-8-yl)acetamide (PubChem CID 139830356) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(2-cyanoquinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoquinolin-8-yl)acetamide
PubChem CID139830356
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC NameN-(2-cyanoquinolin-8-yl)acetamide
SMILESCC(=O)Nc1cccc2ccc(C#N)nc12
InChIInChI=1S/C12H9N3O/c1-8(16)14-11-4-2-3-9-5-6-10(7-13)15-12(9)11/h2-6H,1H3,(H,14,16)
InChIKeyKDSOJWQMIGLQER-UHFFFAOYSA-N
XLogP2.06
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-acetamidoquinoline-2-carboxylate
CID 139830366
cis-(1R,3S)-3-(aminomethyl)-N-(2-cyanoquinolin-8-yl)cyclohexane-1-carboxamide
CID 91287828
4-[(2-cyanoquinolin-8-yl)amino]-N-[4-[[(E)-4-ethynyliminobut-2-en-2-yl]amino]phenyl]benzamide
CID 170007922
2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168606154
5-[(2-methylquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 115487676
3-acetamido-N-(2-methylquinolin-8-yl)benzamide
CID 110745574
3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 55152509
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
8-[2-(tert-butylamino)ethyl]quinoline-2-carbonitrile
CID 155461828
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
8-(4-methylphenoxy)quinoline-2-carbonitrile
CID 102941340

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoquinolin-8-yl)acetamide?
The IUPAC name of N-(2-cyanoquinolin-8-yl)acetamide (CID 139830356) is N-(2-cyanoquinolin-8-yl)acetamide.
What is the SMILES notation for N-(2-cyanoquinolin-8-yl)acetamide?
The canonical SMILES for N-(2-cyanoquinolin-8-yl)acetamide is CC(=O)Nc1cccc2ccc(C#N)nc12.
What is the InChIKey of N-(2-cyanoquinolin-8-yl)acetamide?
The InChIKey is KDSOJWQMIGLQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-8(16)14-11-4-2-3-9-5-6-10(7-13)15-12(9)11/h2-6H,1H3,(H,14,16).
What are the key properties of N-(2-cyanoquinolin-8-yl)acetamide?
N-(2-cyanoquinolin-8-yl)acetamide has a molecular weight of 211.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoquinolin-8-yl)acetamide is sourced from PubChem (CID 139830356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).