1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine

C20H20N4O — CID 2440313

IUPAC1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine
SMILESCOc1ccc(/C=N/c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C20H20N4O/c1-25-16-10-8-15(9-11-16)14-21-19-20(24-12-4-5-13-24)23-18-7-3-2-6-17(18)22-19/h2-3,6-11,14H,4-5,12-13H2,1H3/b21-14+
InChIKeyMFWZHHHVZXQBKS-KGENOOAVSA-N
MW332.41 g/mol
LogP3.99
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine

1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine (PubChem CID 2440313) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine
PubChem CID2440313
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine
SMILESCOc1ccc(/C=N/c2nc3ccccc3nc2N2CCCC2)cc1
InChIInChI=1S/C20H20N4O/c1-25-16-10-8-15(9-11-16)14-21-19-20(24-12-4-5-13-24)23-18-7-3-2-6-17(18)22-19/h2-3,6-11,14H,4-5,12-13H2,1H3/b21-14+
InChIKeyMFWZHHHVZXQBKS-KGENOOAVSA-N
XLogP3.99
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-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-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine (CID 2440313) is 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine is COc1ccc(/C=N/c2nc3ccccc3nc2N2CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine?
The InChIKey is MFWZHHHVZXQBKS-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N4O/c1-25-16-10-8-15(9-11-16)14-21-19-20(24-12-4-5-13-24)23-18-7-3-2-6-17(18)22-19/h2-3,6-11,14H,4-5,12-13H2,1H3/b21-14+.
What are the key properties of 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine?
1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine has a molecular weight of 332.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)methanimine is sourced from PubChem (CID 2440313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).