2-[(4-cyanoquinolin-2-yl)amino]acetamide

C12H10N4O — CID 63883869

IUPAC2-[(4-cyanoquinolin-2-yl)amino]acetamide
SMILESN#Cc1cc(NCC(N)=O)nc2ccccc12
InChIInChI=1S/C12H10N4O/c13-6-8-5-12(15-7-11(14)17)16-10-4-2-1-3-9(8)10/h1-5H,7H2,(H2,14,17)(H,15,16)
InChIKeyBRUWBVCZQZRRLN-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.00
Rot. Bonds3

About 2-[(4-cyanoquinolin-2-yl)amino]acetamide

2-[(4-cyanoquinolin-2-yl)amino]acetamide (PubChem CID 63883869) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(4-cyanoquinolin-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-cyanoquinolin-2-yl)amino]acetamide
PubChem CID63883869
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-[(4-cyanoquinolin-2-yl)amino]acetamide
SMILESN#Cc1cc(NCC(N)=O)nc2ccccc12
InChIInChI=1S/C12H10N4O/c13-6-8-5-12(15-7-11(14)17)16-10-4-2-1-3-9(8)10/h1-5H,7H2,(H2,14,17)(H,15,16)
InChIKeyBRUWBVCZQZRRLN-UHFFFAOYSA-N
XLogP1.00
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyanoquinolin-2-yl)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(4-cyanoquinolin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450530
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]quinoline-4-carbonitrile
CID 79479205
2-(3-methylsulfinylpropylamino)quinoline-4-carbonitrile
CID 115637217
2-[(4-cyanoquinolin-2-yl)amino]-2-ethylbutanoic acid
CID 79814524
2-anilinoquinoline-4-carbonitrile
CID 63884486
2-(2,3,3-trimethylbutylamino)quinoline-4-carbonitrile
CID 83142408
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 79361457
2-[2-(trifluoromethylsulfanyl)ethylamino]quinoline-4-carbonitrile
CID 102809256
2-[(1-ethylcyclopropyl)methylamino]quinoline-4-carbonitrile
CID 103736838
2-[(4-cyanoquinolin-2-yl)amino]-N-methylpropanamide
CID 63886397
2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]quinoline-4-carbonitrile
CID 106381406
2-[2-(2-methoxyethylamino)ethylamino]quinoline-4-carbonitrile
CID 83030385

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanoquinolin-2-yl)amino]acetamide?
The IUPAC name of 2-[(4-cyanoquinolin-2-yl)amino]acetamide (CID 63883869) is 2-[(4-cyanoquinolin-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(4-cyanoquinolin-2-yl)amino]acetamide?
The canonical SMILES for 2-[(4-cyanoquinolin-2-yl)amino]acetamide is N#Cc1cc(NCC(N)=O)nc2ccccc12.
What is the InChIKey of 2-[(4-cyanoquinolin-2-yl)amino]acetamide?
The InChIKey is BRUWBVCZQZRRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-6-8-5-12(15-7-11(14)17)16-10-4-2-1-3-9(8)10/h1-5H,7H2,(H2,14,17)(H,15,16).
What are the key properties of 2-[(4-cyanoquinolin-2-yl)amino]acetamide?
2-[(4-cyanoquinolin-2-yl)amino]acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanoquinolin-2-yl)amino]acetamide is sourced from PubChem (CID 63883869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).