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

C22H18N4O4 — CID 86302790

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1oc(=O)n(Cc3cccnc3)c12
InChIInChI=1S/C22H18N4O4/c1-12-20(13(2)30-25-12)16-7-17-15(8-18(16)28-3)21-19(10-24-17)29-22(27)26(21)11-14-5-4-6-23-9-14/h4-10H,11H2,1-3H3
InChIKeyFRBVWDPMTVQZIO-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.87
Rot. Bonds4

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

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one (PubChem CID 86302790) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one
PubChem CID86302790
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one
SMILESCOc1cc2c(cc1-c1c(C)noc1C)ncc1oc(=O)n(Cc3cccnc3)c12
InChIInChI=1S/C22H18N4O4/c1-12-20(13(2)30-25-12)16-7-17-15(8-18(16)28-3)21-19(10-24-17)29-22(27)26(21)11-14-5-4-6-23-9-14/h4-10H,11H2,1-3H3
InChIKeyFRBVWDPMTVQZIO-UHFFFAOYSA-N
XLogP3.87
TPSA96.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.87
H-Bond Donors ≤ 50
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-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one (CID 86302790) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1oc(=O)n(Cc3cccnc3)c12.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one?
The InChIKey is FRBVWDPMTVQZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-12-20(13(2)30-25-12)16-7-17-15(8-18(16)28-3)21-19(10-24-17)29-22(27)26(21)11-14-5-4-6-23-9-14/h4-10H,11H2,1-3H3.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(pyridin-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one has a molecular weight of 402.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 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-3-ylmethyl)-[1,3]oxazolo[5,4-c]quinolin-2-one is sourced from PubChem (CID 86302790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).