2-(2-methylanilino)quinoline-4-carbohydrazide

C17H16N4O — CID 3077551

IUPAC2-(2-methylanilino)quinoline-4-carbohydrazide
SMILESCc1ccccc1Nc1cc(C(=O)NN)c2ccccc2n1
InChIInChI=1S/C17H16N4O/c1-11-6-2-4-8-14(11)19-16-10-13(17(22)21-18)12-7-3-5-9-15(12)20-16/h2-10H,18H2,1H3,(H,19,20)(H,21,22)
InChIKeyASMGQJSIVZFHNJ-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-methylanilino)quinoline-4-carbohydrazide

2-(2-methylanilino)quinoline-4-carbohydrazide (PubChem CID 3077551) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-methylanilino)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(2-methylanilino)quinoline-4-carbohydrazide
PubChem CID3077551
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(2-methylanilino)quinoline-4-carbohydrazide
SMILESCc1ccccc1Nc1cc(C(=O)NN)c2ccccc2n1
InChIInChI=1S/C17H16N4O/c1-11-6-2-4-8-14(11)19-16-10-13(17(22)21-18)12-7-3-5-9-15(12)20-16/h2-10H,18H2,1H3,(H,19,20)(H,21,22)
InChIKeyASMGQJSIVZFHNJ-UHFFFAOYSA-N
XLogP2.89
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-methylanilino)quinoline-4-carbohydrazide 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-(2-methylanilino)quinoline-4-carbohydrazide?
The IUPAC name of 2-(2-methylanilino)quinoline-4-carbohydrazide (CID 3077551) is 2-(2-methylanilino)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(2-methylanilino)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(2-methylanilino)quinoline-4-carbohydrazide is Cc1ccccc1Nc1cc(C(=O)NN)c2ccccc2n1.
What is the InChIKey of 2-(2-methylanilino)quinoline-4-carbohydrazide?
The InChIKey is ASMGQJSIVZFHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-6-2-4-8-14(11)19-16-10-13(17(22)21-18)12-7-3-5-9-15(12)20-16/h2-10H,18H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(2-methylanilino)quinoline-4-carbohydrazide?
2-(2-methylanilino)quinoline-4-carbohydrazide has a molecular weight of 292.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)quinoline-4-carbohydrazide is sourced from PubChem (CID 3077551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).