(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione

C19H16N2O5 — CID 125430159

IUPAC(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione
SMILESCOc1cccc([C@H]2Oc3ccccc3CC23C(=O)NC(=O)NC3=O)c1
InChIInChI=1S/C19H16N2O5/c1-25-13-7-4-6-11(9-13)15-19(16(22)20-18(24)21-17(19)23)10-12-5-2-3-8-14(12)26-15/h2-9,15H,10H2,1H3,(H2,20,21,22,23,24)/t15-/m1/s1
InChIKeyBHUQWUKGWSIOPA-OAHLLOKOSA-N
MW352.35 g/mol
LogP1.72
Rot. Bonds2

About (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione

(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione (PubChem CID 125430159) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione.

Molecular Properties

Compound Name(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione
PubChem CID125430159
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione
SMILESCOc1cccc([C@H]2Oc3ccccc3CC23C(=O)NC(=O)NC3=O)c1
InChIInChI=1S/C19H16N2O5/c1-25-13-7-4-6-11(9-13)15-19(16(22)20-18(24)21-17(19)23)10-12-5-2-3-8-14(12)26-15/h2-9,15H,10H2,1H3,(H2,20,21,22,23,24)/t15-/m1/s1
InChIKeyBHUQWUKGWSIOPA-OAHLLOKOSA-N
XLogP1.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-2,5-dihydro-1-benzoxepine
CID 75985500
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548
3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535
11-(2,4-dimethoxyphenyl)-7-phenyl-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
CID 11742959
(4S,5S)-4-(3-methoxyphenyl)spiro[3,4-dihydropyrazole-5,2'-3H-indene]-1'-one
CID 7200871
1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one
CID 116978424
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
6-(3-methoxyphenyl)piperidine-2,4-dione
CID 83822055
7,11-bis(3-methoxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione
CID 10526991
(2R)-2-(3-methoxyphenyl)cyclobutan-1-one
CID 129415891
(4R)-4-(3-methoxyphenyl)-6-methyl-5-propanoyl-3,4-dihydro-1H-pyrimidin-2-one
CID 134968151

Frequently Asked Questions

What is the IUPAC name of (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione?
The IUPAC name of (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione (CID 125430159) is (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione.
What is the SMILES notation for (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione?
The canonical SMILES for (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione is COc1cccc([C@H]2Oc3ccccc3CC23C(=O)NC(=O)NC3=O)c1.
What is the InChIKey of (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione?
The InChIKey is BHUQWUKGWSIOPA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-25-13-7-4-6-11(9-13)15-19(16(22)20-18(24)21-17(19)23)10-12-5-2-3-8-14(12)26-15/h2-9,15H,10H2,1H3,(H2,20,21,22,23,24)/t15-/m1/s1.
What are the key properties of (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione?
(2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione has a molecular weight of 352.35 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-2'-(3-methoxyphenyl)spiro[1,3-diazinane-5,3'-2,4-dihydrochromene]-2,4,6-trione is sourced from PubChem (CID 125430159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).