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

C20H17ClN4O2 — CID 99803234

IUPAC10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccc(Cl)cc1-2
InChIInChI=1S/C20H17ClN4O2/c21-14-6-7-16-15(12-14)18-22-19(26)17(13-4-2-1-3-5-13)24-25(18)20(23-16)8-10-27-11-9-20/h1-7,12,23H,8-11H2
InChIKeyIDIJDFPHIMPRRC-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.51
Rot. Bonds1

About 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one

10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one (PubChem CID 99803234) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one.

Molecular Properties

Compound Name10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
PubChem CID99803234
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one
SMILESO=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccc(Cl)cc1-2
InChIInChI=1S/C20H17ClN4O2/c21-14-6-7-16-15(12-14)18-22-19(26)17(13-4-2-1-3-5-13)24-25(18)20(23-16)8-10-27-11-9-20/h1-7,12,23H,8-11H2
InChIKeyIDIJDFPHIMPRRC-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The IUPAC name of 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one (CID 99803234) is 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one.
What is the SMILES notation for 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The canonical SMILES for 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one is O=c1nc2n(nc1-c1ccccc1)C1(CCOCC1)Nc1ccc(Cl)cc1-2.
What is the InChIKey of 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
The InChIKey is IDIJDFPHIMPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c21-14-6-7-16-15(12-14)18-22-19(26)17(13-4-2-1-3-5-13)24-25(18)20(23-16)8-10-27-11-9-20/h1-7,12,23H,8-11H2.
What are the key properties of 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one?
10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one has a molecular weight of 380.84 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-3-phenylspiro[7H-[1,2,4]triazino[2,3-c]quinazoline-6,4'-oxane]-2-one is sourced from PubChem (CID 99803234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).