7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one

C21H24N2O4 — CID 651692

IUPAC7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCOc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-20(2)12-21(23-19(25)22-20)11-17(13-4-7-15(26-3)8-5-13)16-9-6-14(24)10-18(16)27-21/h4-10,17,24H,11-12H2,1-3H3,(H2,22,23,25)
InChIKeyBPQMVKAXYDRJRR-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.49
Rot. Bonds2

About 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one

7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (PubChem CID 651692) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.

Molecular Properties

Compound Name7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
PubChem CID651692
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCOc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1
InChIInChI=1S/C21H24N2O4/c1-20(2)12-21(23-19(25)22-20)11-17(13-4-7-15(26-3)8-5-13)16-9-6-14(24)10-18(16)27-21/h4-10,17,24H,11-12H2,1-3H3,(H2,22,23,25)
InChIKeyBPQMVKAXYDRJRR-UHFFFAOYSA-N
XLogP3.49
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The IUPAC name of 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (CID 651692) is 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.
What is the SMILES notation for 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The canonical SMILES for 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is COc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1.
What is the InChIKey of 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The InChIKey is BPQMVKAXYDRJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-20(2)12-21(23-19(25)22-20)11-17(13-4-7-15(26-3)8-5-13)16-9-6-14(24)10-18(16)27-21/h4-10,17,24H,11-12H2,1-3H3,(H2,22,23,25).
What are the key properties of 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one has a molecular weight of 368.43 g/mol, XLogP of 3.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-hydroxy-4'-(4-methoxyphenyl)-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is sourced from PubChem (CID 651692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).