2-(4-amino-2-methylquinolin-6-yl)propanediamide

C13H14N4O2 — CID 163898089

IUPAC2-(4-amino-2-methylquinolin-6-yl)propanediamide
SMILESCc1cc(N)c2cc(C(C(N)=O)C(N)=O)ccc2n1
InChIInChI=1S/C13H14N4O2/c1-6-4-9(14)8-5-7(2-3-10(8)17-6)11(12(15)18)13(16)19/h2-5,11H,1H3,(H2,14,17)(H2,15,18)(H2,16,19)
InChIKeyQHKXCPZTXTXPKF-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.18
Rot. Bonds3

About 2-(4-amino-2-methylquinolin-6-yl)propanediamide

2-(4-amino-2-methylquinolin-6-yl)propanediamide (PubChem CID 163898089) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(4-amino-2-methylquinolin-6-yl)propanediamide.

Molecular Properties

Compound Name2-(4-amino-2-methylquinolin-6-yl)propanediamide
PubChem CID163898089
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(4-amino-2-methylquinolin-6-yl)propanediamide
SMILESCc1cc(N)c2cc(C(C(N)=O)C(N)=O)ccc2n1
InChIInChI=1S/C13H14N4O2/c1-6-4-9(14)8-5-7(2-3-10(8)17-6)11(12(15)18)13(16)19/h2-5,11H,1H3,(H2,14,17)(H2,15,18)(H2,16,19)
InChIKeyQHKXCPZTXTXPKF-UHFFFAOYSA-N
XLogP0.18
TPSA125.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(4-amino-2-methylquinolin-6-yl)propanediamide 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-(4-amino-2-methylquinolin-6-yl)propanediamide?
The IUPAC name of 2-(4-amino-2-methylquinolin-6-yl)propanediamide (CID 163898089) is 2-(4-amino-2-methylquinolin-6-yl)propanediamide.
What is the SMILES notation for 2-(4-amino-2-methylquinolin-6-yl)propanediamide?
The canonical SMILES for 2-(4-amino-2-methylquinolin-6-yl)propanediamide is Cc1cc(N)c2cc(C(C(N)=O)C(N)=O)ccc2n1.
What is the InChIKey of 2-(4-amino-2-methylquinolin-6-yl)propanediamide?
The InChIKey is QHKXCPZTXTXPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-6-4-9(14)8-5-7(2-3-10(8)17-6)11(12(15)18)13(16)19/h2-5,11H,1H3,(H2,14,17)(H2,15,18)(H2,16,19).
What are the key properties of 2-(4-amino-2-methylquinolin-6-yl)propanediamide?
2-(4-amino-2-methylquinolin-6-yl)propanediamide has a molecular weight of 258.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylquinolin-6-yl)propanediamide is sourced from PubChem (CID 163898089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).