4-quinolin-4-ylbut-3-enamide

C13H12N2O — CID 170798108

IUPAC4-quinolin-4-ylbut-3-enamide
SMILESNC(=O)CC=Cc1ccnc2ccccc12
InChIInChI=1S/C13H12N2O/c14-13(16)7-3-4-10-8-9-15-12-6-2-1-5-11(10)12/h1-6,8-9H,7H2,(H2,14,16)
InChIKeyOYKSGBACLMIDCA-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.12
Rot. Bonds3

About 4-quinolin-4-ylbut-3-enamide

4-quinolin-4-ylbut-3-enamide (PubChem CID 170798108) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-quinolin-4-ylbut-3-enamide.

Molecular Properties

Compound Name4-quinolin-4-ylbut-3-enamide
PubChem CID170798108
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-quinolin-4-ylbut-3-enamide
SMILESNC(=O)CC=Cc1ccnc2ccccc12
InChIInChI=1S/C13H12N2O/c14-13(16)7-3-4-10-8-9-15-12-6-2-1-5-11(10)12/h1-6,8-9H,7H2,(H2,14,16)
InChIKeyOYKSGBACLMIDCA-UHFFFAOYSA-N
XLogP2.12
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-quinolin-4-ylbut-3-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-4-ylbut-3-enamide?
The IUPAC name of 4-quinolin-4-ylbut-3-enamide (CID 170798108) is 4-quinolin-4-ylbut-3-enamide.
What is the SMILES notation for 4-quinolin-4-ylbut-3-enamide?
The canonical SMILES for 4-quinolin-4-ylbut-3-enamide is NC(=O)CC=Cc1ccnc2ccccc12.
What is the InChIKey of 4-quinolin-4-ylbut-3-enamide?
The InChIKey is OYKSGBACLMIDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-13(16)7-3-4-10-8-9-15-12-6-2-1-5-11(10)12/h1-6,8-9H,7H2,(H2,14,16).
What are the key properties of 4-quinolin-4-ylbut-3-enamide?
4-quinolin-4-ylbut-3-enamide has a molecular weight of 212.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-4-ylbut-3-enamide is sourced from PubChem (CID 170798108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).