1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine

C20H15N3O — CID 10267716

IUPAC1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine
SMILESCc1ccc(/C=N/c2cccc3c(-c4ccncc4)ccnc23)o1
InChIInChI=1S/C20H15N3O/c1-14-5-6-16(24-14)13-23-19-4-2-3-18-17(9-12-22-20(18)19)15-7-10-21-11-8-15/h2-13H,1H3/b23-13+
InChIKeyNVLDAVRIOSYNGQ-YDZHTSKRSA-N
MW313.36 g/mol
LogP4.95
Rot. Bonds3

About 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine

1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine (PubChem CID 10267716) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine
PubChem CID10267716
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine
SMILESCc1ccc(/C=N/c2cccc3c(-c4ccncc4)ccnc23)o1
InChIInChI=1S/C20H15N3O/c1-14-5-6-16(24-14)13-23-19-4-2-3-18-17(9-12-22-20(18)19)15-7-10-21-11-8-15/h2-13H,1H3/b23-13+
InChIKeyNVLDAVRIOSYNGQ-YDZHTSKRSA-N
XLogP4.95
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine 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 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine?
The IUPAC name of 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine (CID 10267716) is 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine?
The canonical SMILES for 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine is Cc1ccc(/C=N/c2cccc3c(-c4ccncc4)ccnc23)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine?
The InChIKey is NVLDAVRIOSYNGQ-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-5-6-16(24-14)13-23-19-4-2-3-18-17(9-12-22-20(18)19)15-7-10-21-11-8-15/h2-13H,1H3/b23-13+.
What are the key properties of 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine?
1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine has a molecular weight of 313.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-N-(4-pyridin-4-ylquinolin-8-yl)methanimine is sourced from PubChem (CID 10267716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).