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

C20H18N4O2 — CID 99803272

IUPAC3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccccc1-2
InChIInChI=1S/C20H18N4O2/c25-19-17(14-6-2-1-3-7-14)23-24-18(21-19)15-8-4-5-9-16(15)22-20(24)10-12-26-13-11-20/h1-9,22H,10-13H2
InChIKeyXRGFKHTXVLIXCI-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.86
Rot. Bonds1

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

3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one (PubChem CID 99803272) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one.

Molecular Properties

Compound Name3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
PubChem CID99803272
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccccc1-2
InChIInChI=1S/C20H18N4O2/c25-19-17(14-6-2-1-3-7-14)23-24-18(21-19)15-8-4-5-9-16(15)22-20(24)10-12-26-13-11-20/h1-9,22H,10-13H2
InChIKeyXRGFKHTXVLIXCI-UHFFFAOYSA-N
XLogP2.86
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The IUPAC name of 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one (CID 99803272) is 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one.
What is the SMILES notation for 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The canonical SMILES for 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one is O=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccccc1-2.
What is the InChIKey of 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The InChIKey is XRGFKHTXVLIXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-19-17(14-6-2-1-3-7-14)23-24-18(21-19)15-8-4-5-9-16(15)22-20(24)10-12-26-13-11-20/h1-9,22H,10-13H2.
What are the key properties of 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one has a molecular weight of 346.39 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one is sourced from PubChem (CID 99803272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).