N-(3-cyanoquinolin-6-yl)acetamide

C12H9N3O — CID 139970068

IUPACN-(3-cyanoquinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2ncc(C#N)cc2c1
InChIInChI=1S/C12H9N3O/c1-8(16)15-11-2-3-12-10(5-11)4-9(6-13)7-14-12/h2-5,7H,1H3,(H,15,16)
InChIKeyCQYGZVNRSGTWQU-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.06
Rot. Bonds1

About N-(3-cyanoquinolin-6-yl)acetamide

N-(3-cyanoquinolin-6-yl)acetamide (PubChem CID 139970068) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(3-cyanoquinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanoquinolin-6-yl)acetamide
PubChem CID139970068
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC NameN-(3-cyanoquinolin-6-yl)acetamide
SMILESCC(=O)Nc1ccc2ncc(C#N)cc2c1
InChIInChI=1S/C12H9N3O/c1-8(16)15-11-2-3-12-10(5-11)4-9(6-13)7-14-12/h2-5,7H,1H3,(H,15,16)
InChIKeyCQYGZVNRSGTWQU-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

N-(3-bromoquinolin-6-yl)acetamide
CID 15378467
N-(2-cyano-1,3-benzothiazol-6-yl)acetamide
CID 45077726
N-(5-cyano-2-methyl-3-pyridinyl)acetamide
CID 86280283
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
5-cyano-N-quinolin-3-ylpyridine-2-carboxamide
CID 63719125
N-(3,4-dicyanophenyl)acetamide
CID 12938829
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
6-methyl-1,5-naphthyridine-3-carbonitrile
CID 58724326
6-pyrrolidin-1-ylquinoline-3-carbonitrile
CID 105480696
N-[4-[2-(4-cyanophenoxy)ethoxy]phenyl]acetamide
CID 51142297
2-[(3-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 118665159

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanoquinolin-6-yl)acetamide?
The IUPAC name of N-(3-cyanoquinolin-6-yl)acetamide (CID 139970068) is N-(3-cyanoquinolin-6-yl)acetamide.
What is the SMILES notation for N-(3-cyanoquinolin-6-yl)acetamide?
The canonical SMILES for N-(3-cyanoquinolin-6-yl)acetamide is CC(=O)Nc1ccc2ncc(C#N)cc2c1.
What is the InChIKey of N-(3-cyanoquinolin-6-yl)acetamide?
The InChIKey is CQYGZVNRSGTWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c1-8(16)15-11-2-3-12-10(5-11)4-9(6-13)7-14-12/h2-5,7H,1H3,(H,15,16).
What are the key properties of N-(3-cyanoquinolin-6-yl)acetamide?
N-(3-cyanoquinolin-6-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-(3-cyanoquinolin-6-yl)acetamide is sourced from PubChem (CID 139970068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).