9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one

C20H17FN4O2 — CID 99803178

IUPAC9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1cc(F)ccc1-2
InChIInChI=1S/C20H17FN4O2/c21-14-6-7-15-16(12-14)23-20(8-10-27-11-9-20)25-18(15)22-19(26)17(24-25)13-4-2-1-3-5-13/h1-7,12,23H,8-11H2
InChIKeyMDPQJZMCNNRVDW-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.00
Rot. Bonds1

About 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one

9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one (PubChem CID 99803178) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one.

Molecular Properties

Compound Name9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
PubChem CID99803178
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1cc(F)ccc1-2
InChIInChI=1S/C20H17FN4O2/c21-14-6-7-15-16(12-14)23-20(8-10-27-11-9-20)25-18(15)22-19(26)17(24-25)13-4-2-1-3-5-13/h1-7,12,23H,8-11H2
InChIKeyMDPQJZMCNNRVDW-UHFFFAOYSA-N
XLogP3.00
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The IUPAC name of 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one (CID 99803178) is 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one.
What is the SMILES notation for 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The canonical SMILES for 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one is O=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1cc(F)ccc1-2.
What is the InChIKey of 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The InChIKey is MDPQJZMCNNRVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-14-6-7-15-16(12-14)23-20(8-10-27-11-9-20)25-18(15)22-19(26)17(24-25)13-4-2-1-3-5-13/h1-7,12,23H,8-11H2.
What are the key properties of 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one has a molecular weight of 364.38 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one is sourced from PubChem (CID 99803178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).