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

C13H8N4O — CID 10399203

IUPAC4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESc1ccc2c(c1)ncc1[nH]c(-c3cnoc3)nc12
InChIInChI=1S/C13H8N4O/c1-2-4-10-9(3-1)12-11(6-14-10)16-13(17-12)8-5-15-18-7-8/h1-7H,(H,16,17)
InChIKeyANBPNYZMMXIVHK-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.77
Rot. Bonds1

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

4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (PubChem CID 10399203) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
PubChem CID10399203
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
SMILESc1ccc2c(c1)ncc1[nH]c(-c3cnoc3)nc12
InChIInChI=1S/C13H8N4O/c1-2-4-10-9(3-1)12-11(6-14-10)16-13(17-12)8-5-15-18-7-8/h1-7H,(H,16,17)
InChIKeyANBPNYZMMXIVHK-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-8510
CID 135409387
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-(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-(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
3-methyl-5-(6,7,8,9-tetrahydro-3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole
CID 135456681
5-(7-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)-3-methyl-1,2-oxazole
CID 135461696

Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The IUPAC name of 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole (CID 10399203) is 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The canonical SMILES for 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is c1ccc2c(c1)ncc1[nH]c(-c3cnoc3)nc12.
What is the InChIKey of 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
The InChIKey is ANBPNYZMMXIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c1-2-4-10-9(3-1)12-11(6-14-10)16-13(17-12)8-5-15-18-7-8/h1-7H,(H,16,17).
What are the key properties of 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole?
4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole has a molecular weight of 236.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]quinolin-2-yl)-1,2-oxazole is sourced from PubChem (CID 10399203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).