(5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C23H22N2O4 — CID 2633767

IUPAC(5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(=O)oc3ccc4ccccc4c13)C2=O
InChIInChI=1S/C23H22N2O4/c1-14-6-4-5-11-23(14)21(27)25(22(28)24-23)13-16-12-19(26)29-18-10-9-15-7-2-3-8-17(15)20(16)18/h2-3,7-10,12,14H,4-6,11,13H2,1H3,(H,24,28)/t14-,23+/m0/s1
InChIKeyQAGCYQWGXQKWIQ-LFVRLGFBSA-N
MW390.44 g/mol
LogP3.95
Rot. Bonds2

About (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2633767) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2633767
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name(5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(=O)oc3ccc4ccccc4c13)C2=O
InChIInChI=1S/C23H22N2O4/c1-14-6-4-5-11-23(14)21(27)25(22(28)24-23)13-16-12-19(26)29-18-10-9-15-7-2-3-8-17(15)20(16)18/h2-3,7-10,12,14H,4-6,11,13H2,1H3,(H,24,28)/t14-,23+/m0/s1
InChIKeyQAGCYQWGXQKWIQ-LFVRLGFBSA-N
XLogP3.95
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(5R,6R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265180
(4R)-3'-[(3-oxobenzo[f]chromen-1-yl)methyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5'-imidazolidine]-2',4'-dione
CID 41136752
(5S,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265698
(5R,6S)-6-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265700
(5R,6S)-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9267766
2-[(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzonitrile
CID 3984831
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
(5R,6S)-3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41410569
N-(1-benzofuran-2-ylmethyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 86994486
(7-hydroxy-2-oxochromen-4-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955605
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
(5R,6S)-3-[(2,5-dimethoxyphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8572012

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2633767) is (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cc(=O)oc3ccc4ccccc4c13)C2=O.
What is the InChIKey of (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QAGCYQWGXQKWIQ-LFVRLGFBSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-6-4-5-11-23(14)21(27)25(22(28)24-23)13-16-12-19(26)29-18-10-9-15-7-2-3-8-17(15)20(16)18/h2-3,7-10,12,14H,4-6,11,13H2,1H3,(H,24,28)/t14-,23+/m0/s1.
What are the key properties of (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 390.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-methyl-3-[(3-oxobenzo[f]chromen-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2633767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).