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

C13H7ClN4O — CID 135513671

IUPAC3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESClc1ccc2ncc3[nH]c(-c4ccon4)nc3c2c1
InChIInChI=1S/C13H7ClN4O/c14-7-1-2-9-8(5-7)12-11(6-15-9)16-13(17-12)10-3-4-19-18-10/h1-6H,(H,16,17)
InChIKeyXAJOKMBGWOCPEB-UHFFFAOYSA-N
MW270.68 g/mol
LogP3.42
Rot. Bonds1

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

3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (PubChem CID 135513671) has the molecular formula C13H7ClN4O and a molecular weight of 270.68 g/mol. Its IUPAC name is 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
PubChem CID135513671
Molecular FormulaC13H7ClN4O
Molecular Weight270.68 g/mol
Exact Mass270.03
IUPAC Name3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESClc1ccc2ncc3[nH]c(-c4ccon4)nc3c2c1
InChIInChI=1S/C13H7ClN4O/c14-7-1-2-9-8(5-7)12-11(6-15-9)16-13(17-12)10-3-4-19-18-10/h1-6H,(H,16,17)
InChIKeyXAJOKMBGWOCPEB-UHFFFAOYSA-N
XLogP3.42
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The IUPAC name of 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (CID 135513671) is 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is Clc1ccc2ncc3[nH]c(-c4ccon4)nc3c2c1.
What is the InChIKey of 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The InChIKey is XAJOKMBGWOCPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O/c14-7-1-2-9-8(5-7)12-11(6-15-9)16-13(17-12)10-3-4-19-18-10/h1-6H,(H,16,17).
What are the key properties of 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole has a molecular weight of 270.68 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 135513671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).