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

C14H10N4O — CID 14207863

IUPAC5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1-c1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C14H10N4O/c1-8-13(19-7-16-8)14-17-11-6-15-10-5-3-2-4-9(10)12(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyJBXKQPGDMUIESF-UHFFFAOYSA-N
MW250.26 g/mol
LogP3.07
Rot. Bonds1

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

5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole (PubChem CID 14207863) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole
PubChem CID14207863
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole
SMILESCc1ncoc1-c1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C14H10N4O/c1-8-13(19-7-16-8)14-17-11-6-15-10-5-3-2-4-9(10)12(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyJBXKQPGDMUIESF-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 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole (CID 14207863) is 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole is Cc1ncoc1-c1nc2c(cnc3ccccc32)[nH]1.
What is the InChIKey of 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole?
The InChIKey is JBXKQPGDMUIESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-8-13(19-7-16-8)14-17-11-6-15-10-5-3-2-4-9(10)12(11)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole?
5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-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 5-(3H-imidazo[4,5-c]quinolin-2-yl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 14207863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).