3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

C13H12N4O — CID 135433769

IUPAC3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESc1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)no1
InChIInChI=1S/C13H12N4O/c1-2-4-9-8(3-1)12-11(7-14-9)15-13(16-12)10-5-6-18-17-10/h5-7H,1-4H2,(H,15,16)
InChIKeyRVDZQXGLWJSUIK-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.49
Rot. Bonds1

About 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (PubChem CID 135433769) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
PubChem CID135433769
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESc1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)no1
InChIInChI=1S/C13H12N4O/c1-2-4-9-8(3-1)12-11(7-14-9)15-13(16-12)10-5-6-18-17-10/h5-7H,1-4H2,(H,15,16)
InChIKeyRVDZQXGLWJSUIK-UHFFFAOYSA-N
XLogP2.49
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The IUPAC name of 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (CID 135433769) is 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is c1cc(-c2nc3c4c(ncc3[nH]2)CCCC4)no1.
What is the InChIKey of 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The InChIKey is RVDZQXGLWJSUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-4-9-8(3-1)12-11(7-14-9)15-13(16-12)10-5-6-18-17-10/h5-7H,1-4H2,(H,15,16).
What are the key properties of 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole has a molecular weight of 240.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 135433769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).