(E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine

C18H16N4O2 — CID 21075791

IUPAC(E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine
SMILESCCOCc1nc2cnc3ccccc3c2n1/N=C/c1ccco1
InChIInChI=1S/C18H16N4O2/c1-2-23-12-17-21-16-11-19-15-8-4-3-7-14(15)18(16)22(17)20-10-13-6-5-9-24-13/h3-11H,2,12H2,1H3/b20-10+
InChIKeyRRZDPAYYGMOVDD-KEBDBYFISA-N
MW320.35 g/mol
LogP3.60
Rot. Bonds5

About (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine

(E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine (PubChem CID 21075791) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine
PubChem CID21075791
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name(E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine
SMILESCCOCc1nc2cnc3ccccc3c2n1/N=C/c1ccco1
InChIInChI=1S/C18H16N4O2/c1-2-23-12-17-21-16-11-19-15-8-4-3-7-14(15)18(16)22(17)20-10-13-6-5-9-24-13/h3-11H,2,12H2,1H3/b20-10+
InChIKeyRRZDPAYYGMOVDD-KEBDBYFISA-N
XLogP3.60
TPSA65.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine?
The IUPAC name of (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine (CID 21075791) is (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine?
The canonical SMILES for (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine is CCOCc1nc2cnc3ccccc3c2n1/N=C/c1ccco1.
What is the InChIKey of (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine?
The InChIKey is RRZDPAYYGMOVDD-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-23-12-17-21-16-11-19-15-8-4-3-7-14(15)18(16)22(17)20-10-13-6-5-9-24-13/h3-11H,2,12H2,1H3/b20-10+.
What are the key properties of (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine?
(E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine has a molecular weight of 320.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 21075791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).