7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one

C22H26N2O3 — CID 23857787

IUPAC7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCc1ccccc1C1CC2(CC(C)(C)NC(=O)N2)Oc2cc(O)cc(C)c21
InChIInChI=1S/C22H26N2O3/c1-13-7-5-6-8-16(13)17-11-22(12-21(3,4)23-20(26)24-22)27-18-10-15(25)9-14(2)19(17)18/h5-10,17,25H,11-12H2,1-4H3,(H2,23,24,26)
InChIKeyJBBAGJHZMHGDBU-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.10
Rot. Bonds1

About 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one

7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (PubChem CID 23857787) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.

Molecular Properties

Compound Name7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
PubChem CID23857787
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCc1ccccc1C1CC2(CC(C)(C)NC(=O)N2)Oc2cc(O)cc(C)c21
InChIInChI=1S/C22H26N2O3/c1-13-7-5-6-8-16(13)17-11-22(12-21(3,4)23-20(26)24-22)27-18-10-15(25)9-14(2)19(17)18/h5-10,17,25H,11-12H2,1-4H3,(H2,23,24,26)
InChIKeyJBBAGJHZMHGDBU-UHFFFAOYSA-N
XLogP4.10
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The IUPAC name of 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (CID 23857787) is 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.
What is the SMILES notation for 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The canonical SMILES for 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is Cc1ccccc1C1CC2(CC(C)(C)NC(=O)N2)Oc2cc(O)cc(C)c21.
What is the InChIKey of 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The InChIKey is JBBAGJHZMHGDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-13-7-5-6-8-16(13)17-11-22(12-21(3,4)23-20(26)24-22)27-18-10-15(25)9-14(2)19(17)18/h5-10,17,25H,11-12H2,1-4H3,(H2,23,24,26).
What are the key properties of 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one has a molecular weight of 366.46 g/mol, XLogP of 4.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is sourced from PubChem (CID 23857787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).