7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one

C17H12FN5O2 — CID 126717312

IUPAC7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESNc1ncc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cn1
InChIInChI=1S/C17H12FN5O2/c18-12-3-11-13(4-10(12)8-5-20-17(19)21-6-8)23(9-1-2-9)16(24)14-15(11)25-7-22-14/h3-7,9H,1-2H2,(H2,19,20,21)
InChIKeyIVQUIIXTSCRFBE-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.66
Rot. Bonds2

About 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one

7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126717312) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126717312
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESNc1ncc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cn1
InChIInChI=1S/C17H12FN5O2/c18-12-3-11-13(4-10(12)8-5-20-17(19)21-6-8)23(9-1-2-9)16(24)14-15(11)25-7-22-14/h3-7,9H,1-2H2,(H2,19,20,21)
InChIKeyIVQUIIXTSCRFBE-UHFFFAOYSA-N
XLogP2.66
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126717312) is 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one is Nc1ncc(-c2cc3c(cc2F)c2ocnc2c(=O)n3C2CC2)cn1.
What is the InChIKey of 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is IVQUIIXTSCRFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-12-3-11-13(4-10(12)8-5-20-17(19)21-6-8)23(9-1-2-9)16(24)14-15(11)25-7-22-14/h3-7,9H,1-2H2,(H2,19,20,21).
What are the key properties of 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one?
7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 337.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminopyrimidin-5-yl)-5-cyclopropyl-8-fluoro-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126717312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).