5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole

C14H9FN4O — CID 135461696

IUPAC5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3c(cnc4cc(F)ccc43)[nH]2)on1
InChIInChI=1S/C14H9FN4O/c1-7-4-12(20-19-7)14-17-11-6-16-10-5-8(15)2-3-9(10)13(11)18-14/h2-6H,1H3,(H,17,18)
InChIKeyHFTZBVCSCAZCBH-UHFFFAOYSA-N
MW268.25 g/mol
LogP3.21
Rot. Bonds1

About 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole

5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole (PubChem CID 135461696) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
PubChem CID135461696
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC Name5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nc3c(cnc4cc(F)ccc43)[nH]2)on1
InChIInChI=1S/C14H9FN4O/c1-7-4-12(20-19-7)14-17-11-6-16-10-5-8(15)2-3-9(10)13(11)18-14/h2-6H,1H3,(H,17,18)
InChIKeyHFTZBVCSCAZCBH-UHFFFAOYSA-N
XLogP3.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
5-(8-methoxy-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135433823
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
4-(3-Methyl-1,2-oxazol-5-yl)-12-oxa-3,5,8-triazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraene
CID 135417218
3-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135433769
3,6,7,8,9,10-Hexahydro-2-(3-isoxazolyl)cyclohept[b]imidazo[4,5-d]pyridine
CID 135439444

Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole (CID 135461696) is 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2nc3c(cnc4cc(F)ccc43)[nH]2)on1.
What is the InChIKey of 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
The InChIKey is HFTZBVCSCAZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c1-7-4-12(20-19-7)14-17-11-6-16-10-5-8(15)2-3-9(10)13(11)18-14/h2-6H,1H3,(H,17,18).
What are the key properties of 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole?
5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole has a molecular weight of 268.25 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 135461696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).