5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one

C20H15FN2O3 — CID 126717503

IUPAC5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cc1
InChIInChI=1S/C20H15FN2O3/c1-25-13-6-2-11(3-7-13)14-9-17-15(8-16(14)21)19-18(22-10-26-19)20(24)23(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
InChIKeyAGMDJNFQFFRXJS-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.29
Rot. Bonds3

About 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one

5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126717503) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126717503
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Name5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCOc1ccc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cc1
InChIInChI=1S/C20H15FN2O3/c1-25-13-6-2-11(3-7-13)14-9-17-15(8-16(14)21)19-18(22-10-26-19)20(24)23(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
InChIKeyAGMDJNFQFFRXJS-UHFFFAOYSA-N
XLogP4.29
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126717503) is 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one is COc1ccc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is AGMDJNFQFFRXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-25-13-6-2-11(3-7-13)14-9-17-15(8-16(14)21)19-18(22-10-26-19)20(24)23(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3.
What are the key properties of 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 350.35 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-8-fluoro-7-(4-methoxyphenyl)-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126717503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).