2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C19H24N6O — CID 74231047

IUPAC2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc2ccccc2nc1CN1CCC2(CC1)N=C(N(C)C)NC2=O
InChIInChI=1S/C19H24N6O/c1-13-16(21-15-7-5-4-6-14(15)20-13)12-25-10-8-19(9-11-25)17(26)22-18(23-19)24(2)3/h4-7H,8-12H2,1-3H3,(H,22,23,26)
InChIKeyBJOLPXSBYXGSMK-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.32
Rot. Bonds2

About 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 74231047) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID74231047
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCc1nc2ccccc2nc1CN1CCC2(CC1)N=C(N(C)C)NC2=O
InChIInChI=1S/C19H24N6O/c1-13-16(21-15-7-5-4-6-14(15)20-13)12-25-10-8-19(9-11-25)17(26)22-18(23-19)24(2)3/h4-7H,8-12H2,1-3H3,(H,22,23,26)
InChIKeyBJOLPXSBYXGSMK-UHFFFAOYSA-N
XLogP1.32
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 74231047) is 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is Cc1nc2ccccc2nc1CN1CCC2(CC1)N=C(N(C)C)NC2=O.
What is the InChIKey of 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BJOLPXSBYXGSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-13-16(21-15-7-5-4-6-14(15)20-13)12-25-10-8-19(9-11-25)17(26)22-18(23-19)24(2)3/h4-7H,8-12H2,1-3H3,(H,22,23,26).
What are the key properties of 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 352.44 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-[(3-methylquinoxalin-2-yl)methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 74231047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).