2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C19H25N5O3 — CID 118784762

IUPAC2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C(=O)C3CN(C)c4ccccc4O3)CC2)C(=O)N1
InChIInChI=1S/C19H25N5O3/c1-22(2)18-20-17(26)19(21-18)8-10-24(11-9-19)16(25)15-12-23(3)13-6-4-5-7-14(13)27-15/h4-7,15H,8-12H2,1-3H3,(H,20,21,26)
InChIKeyGKWYBYFEXLXAAK-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.29
Rot. Bonds1

About 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 118784762) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID118784762
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C(=O)C3CN(C)c4ccccc4O3)CC2)C(=O)N1
InChIInChI=1S/C19H25N5O3/c1-22(2)18-20-17(26)19(21-18)8-10-24(11-9-19)16(25)15-12-23(3)13-6-4-5-7-14(13)27-15/h4-7,15H,8-12H2,1-3H3,(H,20,21,26)
InChIKeyGKWYBYFEXLXAAK-UHFFFAOYSA-N
XLogP0.29
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42940741
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 118778339
(4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 118789478
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 62930918
N-hydroxy-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 163392818
2-(dimethylamino)-8-[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 119074781
2-(dimethylamino)-8-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 122131164
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 74249393
8-(cycloheptanecarbonyl)-2-(diethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46999618
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
8-[(5-chlorofuran-2-yl)methyl]-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 77096133

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 118784762) is 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(C(=O)C3CN(C)c4ccccc4O3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is GKWYBYFEXLXAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-22(2)18-20-17(26)19(21-18)8-10-24(11-9-19)16(25)15-12-23(3)13-6-4-5-7-14(13)27-15/h4-7,15H,8-12H2,1-3H3,(H,20,21,26).
What are the key properties of 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 371.44 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(4-methyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 118784762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).