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

C14H10N4O — CID 135417206

IUPAC3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3c(cnc4ccccc43)[nH]2)no1
InChIInChI=1S/C14H10N4O/c1-8-6-11(18-19-8)14-16-12-7-15-10-5-3-2-4-9(10)13(12)17-14/h2-7H,1H3,(H,16,17)
InChIKeyYMIRZFZYJWHEIT-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.07
Rot. Bonds1

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

3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole (PubChem CID 135417206) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
PubChem CID135417206
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3c(cnc4ccccc43)[nH]2)no1
InChIInChI=1S/C14H10N4O/c1-8-6-11(18-19-8)14-16-12-7-15-10-5-3-2-4-9(10)13(12)17-14/h2-7H,1H3,(H,16,17)
InChIKeyYMIRZFZYJWHEIT-UHFFFAOYSA-N
XLogP3.07
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.07
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)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole (CID 135417206) is 3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole is Cc1cc(-c2nc3c(cnc4ccccc43)[nH]2)no1.
What is the InChIKey of 3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole?
The InChIKey is YMIRZFZYJWHEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-8-6-11(18-19-8)14-16-12-7-15-10-5-3-2-4-9(10)13(12)17-14/h2-7H,1H3,(H,16,17).
What are the key properties of 3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole?
3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole has a molecular weight of 250.26 g/mol, XLogP of 3.07, 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)-5-methyl-1,2-oxazole is sourced from PubChem (CID 135417206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).