7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one

C22H30N4O3 — CID 138996436

IUPAC7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C)N3C)CC12CCCCC2
InChIInChI=1S/C22H30N4O3/c1-15-20(28)23-18-13-17(7-8-19(18)24(15)3)21(29)25-11-12-26(16(2)27)22(14-25)9-5-4-6-10-22/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,23,28)
InChIKeyZCMGMTPTFAOJAD-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.47
Rot. Bonds1

About 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one

7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one (PubChem CID 138996436) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
PubChem CID138996436
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C)N3C)CC12CCCCC2
InChIInChI=1S/C22H30N4O3/c1-15-20(28)23-18-13-17(7-8-19(18)24(15)3)21(29)25-11-12-26(16(2)27)22(14-25)9-5-4-6-10-22/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,23,28)
InChIKeyZCMGMTPTFAOJAD-UHFFFAOYSA-N
XLogP2.47
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one (CID 138996436) is 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one is CC(=O)N1CCN(C(=O)c2ccc3c(c2)NC(=O)C(C)N3C)CC12CCCCC2.
What is the InChIKey of 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is ZCMGMTPTFAOJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-20(28)23-18-13-17(7-8-19(18)24(15)3)21(29)25-11-12-26(16(2)27)22(14-25)9-5-4-6-10-22/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,23,28).
What are the key properties of 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one?
7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 398.51 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-acetyl-1,4-diazaspiro[5.5]undecane-4-carbonyl)-3,4-dimethyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 138996436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).