2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide

C17H14N4O — CID 6884695

IUPAC2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccn2)c2ccccc2n1
InChIInChI=1S/C17H14N4O/c1-12-10-15(14-7-2-3-8-16(14)20-12)17(22)21-19-11-13-6-4-5-9-18-13/h2-11H,1H3,(H,21,22)/b19-11+
InChIKeyQCPOHVCPXWWDGS-YBFXNURJSA-N
MW290.33 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide

2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6884695) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6884695
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccn2)c2ccccc2n1
InChIInChI=1S/C17H14N4O/c1-12-10-15(14-7-2-3-8-16(14)20-12)17(22)21-19-11-13-6-4-5-9-18-13/h2-11H,1H3,(H,21,22)/b19-11+
InChIKeyQCPOHVCPXWWDGS-YBFXNURJSA-N
XLogP2.70
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide 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-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide (CID 6884695) is 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is Cc1cc(C(=O)N/N=C/c2ccccn2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is QCPOHVCPXWWDGS-YBFXNURJSA-N. The full InChI is InChI=1S/C17H14N4O/c1-12-10-15(14-7-2-3-8-16(14)20-12)17(22)21-19-11-13-6-4-5-9-18-13/h2-11H,1H3,(H,21,22)/b19-11+.
What are the key properties of 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide?
2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6884695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).