3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

C13H7FN4O — CID 135417214

IUPAC3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESFc1cccc2c1ncc1[nH]c(-c3ccon3)nc12
InChIInChI=1S/C13H7FN4O/c14-8-3-1-2-7-11(8)15-6-10-12(7)17-13(16-10)9-4-5-19-18-9/h1-6H,(H,16,17)
InChIKeyOXAHAYQTVOCZAE-UHFFFAOYSA-N
MW254.22 g/mol
LogP2.91
Rot. Bonds1

About 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole

3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (PubChem CID 135417214) has the molecular formula C13H7FN4O and a molecular weight of 254.22 g/mol. Its IUPAC name is 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
PubChem CID135417214
Molecular FormulaC13H7FN4O
Molecular Weight254.22 g/mol
Exact Mass254.06
IUPAC Name3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESFc1cccc2c1ncc1[nH]c(-c3ccon3)nc12
InChIInChI=1S/C13H7FN4O/c14-8-3-1-2-7-11(8)15-6-10-12(7)17-13(16-10)9-4-5-19-18-9/h1-6H,(H,16,17)
InChIKeyOXAHAYQTVOCZAE-UHFFFAOYSA-N
XLogP2.91
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-8510
CID 135409387
4-(4-(4-fluorophenyl)-1-(1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 51353555
2-(3-methylisoxazol-5-yl)-1H-imidazo[4,5-c]quinoline
CID 135417207
3-(3H-imidazo[4,5-c]quinolin-2-yl)-5-methyl-1,2-oxazole
CID 135417206
3-(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135433785
3-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135452014
5-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135457984
5-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135490653
3-(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135513671
3-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135529673
3-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135547060
4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 117887700

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The IUPAC name of 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (CID 135417214) is 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is Fc1cccc2c1ncc1[nH]c(-c3ccon3)nc12.
What is the InChIKey of 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The InChIKey is OXAHAYQTVOCZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4O/c14-8-3-1-2-7-11(8)15-6-10-12(7)17-13(16-10)9-4-5-19-18-9/h1-6H,(H,16,17).
What are the key properties of 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole has a molecular weight of 254.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 135417214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).