5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole

C14H9ClN4O — CID 135457984

IUPAC5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3c(cnc4ccc(Cl)cc43)[nH]2)on1
InChIInChI=1S/C14H9ClN4O/c1-7-4-12(20-19-7)14-17-11-6-16-10-3-2-8(15)5-9(10)13(11)18-14/h2-6H,1H3,(H,17,18)
InChIKeyOCUULLYDJQVOQF-UHFFFAOYSA-N
MW284.71 g/mol
LogP3.73
Rot. Bonds1

About 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole

5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole (PubChem CID 135457984) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
PubChem CID135457984
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3c(cnc4ccc(Cl)cc43)[nH]2)on1
InChIInChI=1S/C14H9ClN4O/c1-7-4-12(20-19-7)14-17-11-6-16-10-3-2-8(15)5-9(10)13(11)18-14/h2-6H,1H3,(H,17,18)
InChIKeyOCUULLYDJQVOQF-UHFFFAOYSA-N
XLogP3.73
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole (CID 135457984) is 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2nc3c(cnc4ccc(Cl)cc43)[nH]2)on1.
What is the InChIKey of 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is OCUULLYDJQVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c1-7-4-12(20-19-7)14-17-11-6-16-10-3-2-8(15)5-9(10)13(11)18-14/h2-6H,1H3,(H,17,18).
What are the key properties of 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 284.71 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 135457984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).