2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid

C15H13N3O2 — CID 79264817

IUPAC2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H13N3O2/c1-2-7-18(10-14(19)20)15-11(8-16)9-17-13-6-4-3-5-12(13)15/h2-6,9H,1,7,10H2,(H,19,20)
InChIKeyRBXZGXRKRIEPGL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.18
Rot. Bonds5

About 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid

2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid (PubChem CID 79264817) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid
PubChem CID79264817
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C15H13N3O2/c1-2-7-18(10-14(19)20)15-11(8-16)9-17-13-6-4-3-5-12(13)15/h2-6,9H,1,7,10H2,(H,19,20)
InChIKeyRBXZGXRKRIEPGL-UHFFFAOYSA-N
XLogP2.18
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid 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 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid (CID 79264817) is 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)c1c(C#N)cnc2ccccc12.
What is the InChIKey of 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid?
The InChIKey is RBXZGXRKRIEPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-7-18(10-14(19)20)15-11(8-16)9-17-13-6-4-3-5-12(13)15/h2-6,9H,1,7,10H2,(H,19,20).
What are the key properties of 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid?
2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid has a molecular weight of 267.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanoquinolin-4-yl)-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79264817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).