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

C20H21ClN2O3 — CID 1142235

IUPAC(4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCC1(C)C[C@]2(C[C@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=O)N1
InChIInChI=1S/C20H21ClN2O3/c1-19(2)11-20(23-18(25)22-19)10-15(13-5-3-4-6-16(13)21)14-8-7-12(24)9-17(14)26-20/h3-9,15,24H,10-11H2,1-2H3,(H2,22,23,25)/t15-,20-/m1/s1
InChIKeyUSVAGCPQMZRPOS-FOIQADDNSA-N
MW372.85 g/mol
LogP4.14
Rot. Bonds1

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

(4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (PubChem CID 1142235) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.

Molecular Properties

Compound Name(4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
PubChem CID1142235
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
SMILESCC1(C)C[C@]2(C[C@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=O)N1
InChIInChI=1S/C20H21ClN2O3/c1-19(2)11-20(23-18(25)22-19)10-15(13-5-3-4-6-16(13)21)14-8-7-12(24)9-17(14)26-20/h3-9,15,24H,10-11H2,1-2H3,(H2,22,23,25)/t15-,20-/m1/s1
InChIKeyUSVAGCPQMZRPOS-FOIQADDNSA-N
XLogP4.14
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7'-hydroxy-4,4-dimethyl-4'-(4-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
CID 3173235
7'-hydroxy-4,4,5'-trimethyl-4'-(2-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one
CID 23857787
(4R,4'S)-4'-(2-chlorophenyl)-6,6-dimethyl-2-methylsulfanylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol
CID 7119980
[6'-chloro-4'-(2-chlorophenyl)-4,4-dimethyl-2-sulfanylidenespiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl] cyclopropanecarboxylate
CID 3218985
(4'S,6S)-6'-chloro-7'-hydroxy-4,4-dimethyl-4'-thiophen-2-ylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-thione
CID 983799
(4'S,6R)-7'-hydroxy-4,4,5'-trimethyl-4'-(3-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-thione
CID 1139264
(4'S,6S)-7'-hydroxy-4,4,5'-trimethyl-4'-(3-methylphenyl)spiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-thione
CID 1139267
5-(2-chloro-4-hydroxyphenyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 69452928
[4,4,5'-trimethyl-4'-(4-methylphenyl)-2-oxospiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-7'-yl] acetate
CID 4176277
2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol
CID 154140524
6'-chloro-6,6-dimethyl-2-methylsulfanyl-4'-phenylspiro[1,5-dihydropyrimidine-4,2'-3,4-dihydrochromene]-7'-ol
CID 3252751
(4R)-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 878755

Frequently Asked Questions

What is the IUPAC name of (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The IUPAC name of (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one (CID 1142235) is (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one.
What is the SMILES notation for (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The canonical SMILES for (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is CC1(C)C[C@]2(C[C@H](c3ccccc3Cl)c3ccc(O)cc3O2)NC(=O)N1.
What is the InChIKey of (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
The InChIKey is USVAGCPQMZRPOS-FOIQADDNSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-19(2)11-20(23-18(25)22-19)10-15(13-5-3-4-6-16(13)21)14-8-7-12(24)9-17(14)26-20/h3-9,15,24H,10-11H2,1-2H3,(H2,22,23,25)/t15-,20-/m1/s1.
What are the key properties of (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one?
(4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one has a molecular weight of 372.85 g/mol, XLogP of 4.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'S,6R)-4'-(2-chlorophenyl)-7'-hydroxy-4,4-dimethylspiro[1,3-diazinane-6,2'-3,4-dihydrochromene]-2-one is sourced from PubChem (CID 1142235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).