7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine

C22H20N6O2 — CID 66571282

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N)n(Cc3ccccn3)c12
InChIInChI=1S/C22H20N6O2/c1-12-20(13(2)30-27-12)16-8-17-15(9-19(16)29-3)21-18(10-25-17)26-22(23)28(21)11-14-6-4-5-7-24-14/h4-10H,11H2,1-3H3,(H2,23,26)
InChIKeyAEXWAWHGUXRIOO-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.89
Rot. Bonds4

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine (PubChem CID 66571282) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine
PubChem CID66571282
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N)n(Cc3ccccn3)c12
InChIInChI=1S/C22H20N6O2/c1-12-20(13(2)30-27-12)16-8-17-15(9-19(16)29-3)21-18(10-25-17)26-22(23)28(21)11-14-6-4-5-7-24-14/h4-10H,11H2,1-3H3,(H2,23,26)
InChIKeyAEXWAWHGUXRIOO-UHFFFAOYSA-N
XLogP3.89
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine (CID 66571282) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(N)n(Cc3ccccn3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
The InChIKey is AEXWAWHGUXRIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-12-20(13(2)30-27-12)16-8-17-15(9-19(16)29-3)21-18(10-25-17)26-22(23)28(21)11-14-6-4-5-7-24-14/h4-10H,11H2,1-3H3,(H2,23,26).
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine has a molecular weight of 400.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-2-ylmethyl)imidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 66571282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).