3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

C13H8N4O — CID 135452014

IUPAC3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESc1ccc2c(c1)ncc1[nH]c(-c3ccon3)nc12
InChIInChI=1S/C13H8N4O/c1-2-4-9-8(3-1)12-11(7-14-9)15-13(16-12)10-5-6-18-17-10/h1-7H,(H,15,16)
InChIKeyQCKRJBBLFKOOMQ-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.77
Rot. Bonds1

About 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (PubChem CID 135452014) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
PubChem CID135452014
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESc1ccc2c(c1)ncc1[nH]c(-c3ccon3)nc12
InChIInChI=1S/C13H8N4O/c1-2-4-9-8(3-1)12-11(7-14-9)15-13(16-12)10-5-6-18-17-10/h1-7H,(H,15,16)
InChIKeyQCKRJBBLFKOOMQ-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The IUPAC name of 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (CID 135452014) is 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is c1ccc2c(c1)ncc1[nH]c(-c3ccon3)nc12.
What is the InChIKey of 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The InChIKey is QCKRJBBLFKOOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c1-2-4-9-8(3-1)12-11(7-14-9)15-13(16-12)10-5-6-18-17-10/h1-7H,(H,15,16).
What are the key properties of 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole has a molecular weight of 236.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 135452014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).