5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

C21H16N4O2 — CID 126717291

IUPAC5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3[nH]ncc3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12
InChIInChI=1S/C21H16N4O2/c1-11-15(12-2-7-17-13(8-12)9-23-24-17)5-6-16-19(11)25(14-3-4-14)21(26)18-20(16)27-10-22-18/h2,5-10,14H,3-4H2,1H3,(H,23,24)
InChIKeyNEKWFDJGOJYYGJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.33
Rot. Bonds2

About 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one

5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 126717291) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID126717291
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCc1c(-c2ccc3[nH]ncc3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12
InChIInChI=1S/C21H16N4O2/c1-11-15(12-2-7-17-13(8-12)9-23-24-17)5-6-16-19(11)25(14-3-4-14)21(26)18-20(16)27-10-22-18/h2,5-10,14H,3-4H2,1H3,(H,23,24)
InChIKeyNEKWFDJGOJYYGJ-UHFFFAOYSA-N
XLogP4.33
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 126717291) is 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is Cc1c(-c2ccc3[nH]ncc3c2)ccc2c3ocnc3c(=O)n(C3CC3)c12.
What is the InChIKey of 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is NEKWFDJGOJYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-11-15(12-2-7-17-13(8-12)9-23-24-17)5-6-16-19(11)25(14-3-4-14)21(26)18-20(16)27-10-22-18/h2,5-10,14H,3-4H2,1H3,(H,23,24).
What are the key properties of 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one?
5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 356.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(1H-indazol-5-yl)-6-methyl-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 126717291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).