N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C21H16N4O2 — CID 2642647

IUPACN-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)o1
InChIInChI=1S/C21H16N4O2/c1-14-8-9-16(27-14)13-23-25-21(26)18-11-20(15-5-4-10-22-12-15)24-19-7-3-2-6-17(18)19/h2-13H,1H3,(H,25,26)
InChIKeyVCUURZVXRJAFOA-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.96
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2642647) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2642647
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)o1
InChIInChI=1S/C21H16N4O2/c1-14-8-9-16(27-14)13-23-25-21(26)18-11-20(15-5-4-10-22-12-15)24-19-7-3-2-6-17(18)19/h2-13H,1H3,(H,25,26)
InChIKeyVCUURZVXRJAFOA-UHFFFAOYSA-N
XLogP3.96
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-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 N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 2642647) is N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is Cc1ccc(C=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is VCUURZVXRJAFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-8-9-16(27-14)13-23-25-21(26)18-11-20(15-5-4-10-22-12-15)24-19-7-3-2-6-17(18)19/h2-13H,1H3,(H,25,26).
What are the key properties of N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2642647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).