2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide

C19H16N4O — CID 6884289

IUPAC2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H16N4O/c24-19(23-21-12-13-4-3-9-20-11-13)16-10-18(14-7-8-14)22-17-6-2-1-5-15(16)17/h1-6,9-12,14H,7-8H2,(H,23,24)/b21-12+
InChIKeyAVQQPQKKNPQWTP-CIAFOILYSA-N
MW316.36 g/mol
LogP3.27
Rot. Bonds4

About 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide

2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide (PubChem CID 6884289) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
PubChem CID6884289
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccnc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C19H16N4O/c24-19(23-21-12-13-4-3-9-20-11-13)16-10-18(14-7-8-14)22-17-6-2-1-5-15(16)17/h1-6,9-12,14H,7-8H2,(H,23,24)/b21-12+
InChIKeyAVQQPQKKNPQWTP-CIAFOILYSA-N
XLogP3.27
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.27
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-cyclopropyl-N-[(E)-pyridin-3-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-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide (CID 6884289) is 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide is O=C(N/N=C/c1cccnc1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
The InChIKey is AVQQPQKKNPQWTP-CIAFOILYSA-N. The full InChI is InChI=1S/C19H16N4O/c24-19(23-21-12-13-4-3-9-20-11-13)16-10-18(14-7-8-14)22-17-6-2-1-5-15(16)17/h1-6,9-12,14H,7-8H2,(H,23,24)/b21-12+.
What are the key properties of 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide?
2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6884289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).