2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine

C25H25N5O2 — CID 59026671

IUPAC2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C25H25N5O2/c1-2-31-16-22-28-23-24(19-12-6-7-13-20(19)27-25(23)26)30(22)14-8-11-18-15-21(29-32-18)17-9-4-3-5-10-17/h3-7,9-10,12-13,15H,2,8,11,14,16H2,1H3,(H2,26,27)
InChIKeyUVEHRKWCKNYYSU-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.99
Rot. Bonds8

About 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 59026671) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID59026671
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCc1cc(-c2ccccc2)no1
InChIInChI=1S/C25H25N5O2/c1-2-31-16-22-28-23-24(19-12-6-7-13-20(19)27-25(23)26)30(22)14-8-11-18-15-21(29-32-18)17-9-4-3-5-10-17/h3-7,9-10,12-13,15H,2,8,11,14,16H2,1H3,(H2,26,27)
InChIKeyUVEHRKWCKNYYSU-UHFFFAOYSA-N
XLogP4.99
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine (CID 59026671) is 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CCCc1cc(-c2ccccc2)no1.
What is the InChIKey of 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is UVEHRKWCKNYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-2-31-16-22-28-23-24(19-12-6-7-13-20(19)27-25(23)26)30(22)14-8-11-18-15-21(29-32-18)17-9-4-3-5-10-17/h3-7,9-10,12-13,15H,2,8,11,14,16H2,1H3,(H2,26,27).
What are the key properties of 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 427.51 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 59026671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).