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

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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).