N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine

C13H12N4 — CID 21075782

IUPACN-imidazo[4,5-c]quinolin-1-ylpropan-2-imine
SMILESCC(C)=Nn1cnc2cnc3ccccc3c21
InChIInChI=1S/C13H12N4/c1-9(2)16-17-8-15-12-7-14-11-6-4-3-5-10(11)13(12)17/h3-8H,1-2H3
InChIKeyYIUNZCQQHFPGAP-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.83
Rot. Bonds1

About N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine

N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine (PubChem CID 21075782) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine.

Molecular Properties

Compound NameN-imidazo[4,5-c]quinolin-1-ylpropan-2-imine
PubChem CID21075782
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-imidazo[4,5-c]quinolin-1-ylpropan-2-imine
SMILESCC(C)=Nn1cnc2cnc3ccccc3c21
InChIInChI=1S/C13H12N4/c1-9(2)16-17-8-15-12-7-14-11-6-4-3-5-10(11)13(12)17/h3-8H,1-2H3
InChIKeyYIUNZCQQHFPGAP-UHFFFAOYSA-N
XLogP2.83
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine?
The IUPAC name of N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine (CID 21075782) is N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine.
What is the SMILES notation for N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine?
The canonical SMILES for N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine is CC(C)=Nn1cnc2cnc3ccccc3c21.
What is the InChIKey of N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine?
The InChIKey is YIUNZCQQHFPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9(2)16-17-8-15-12-7-14-11-6-4-3-5-10(11)13(12)17/h3-8H,1-2H3.
What are the key properties of N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine?
N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine has a molecular weight of 224.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-imidazo[4,5-c]quinolin-1-ylpropan-2-imine is sourced from PubChem (CID 21075782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).