4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile

C23H26N8O3 — CID 23156343

IUPAC4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile
SMILESCC1(C)CN(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)N(c2nc(C#N)nc3ccccc23)C1
InChIInChI=1S/C23H26N8O3/c1-22(2)13-30(12-18(32)29-9-7-23(8-10-29)20(33)27-21(34)28-23)31(14-22)19-15-5-3-4-6-16(15)25-17(11-24)26-19/h3-6H,7-10,12-14H2,1-2H3,(H2,27,28,33,34)
InChIKeySSNZWJLDQFGEDN-UHFFFAOYSA-N
MW462.51 g/mol
LogP0.77
Rot. Bonds3

About 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile

4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile (PubChem CID 23156343) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile
PubChem CID23156343
Molecular FormulaC23H26N8O3
Molecular Weight462.51 g/mol
Exact Mass462.21
IUPAC Name4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile
SMILESCC1(C)CN(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)N(c2nc(C#N)nc3ccccc23)C1
InChIInChI=1S/C23H26N8O3/c1-22(2)13-30(12-18(32)29-9-7-23(8-10-29)20(33)27-21(34)28-23)31(14-22)19-15-5-3-4-6-16(15)25-17(11-24)26-19/h3-6H,7-10,12-14H2,1-2H3,(H2,27,28,33,34)
InChIKeySSNZWJLDQFGEDN-UHFFFAOYSA-N
XLogP0.77
TPSA134.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile with MolForge

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Related Compounds

9-(2,2-dimethylpropyl)-6-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-7,8-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-2-carbonitrile
CID 69444545
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
7-(2-phenylsulfanylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996449
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
7-[2-(2-methylphenyl)acetyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995917
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 115949458
7-pentanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996234
8-(3-phenothiazin-10-ylpropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 55492292
8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
7-octanoyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78995995
4-[[4-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethoxy]quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid
CID 68599625

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile?
The IUPAC name of 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile (CID 23156343) is 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile.
What is the SMILES notation for 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile?
The canonical SMILES for 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile is CC1(C)CN(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)N(c2nc(C#N)nc3ccccc23)C1.
What is the InChIKey of 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile?
The InChIKey is SSNZWJLDQFGEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-22(2)13-30(12-18(32)29-9-7-23(8-10-29)20(33)27-21(34)28-23)31(14-22)19-15-5-3-4-6-16(15)25-17(11-24)26-19/h3-6H,7-10,12-14H2,1-2H3,(H2,27,28,33,34).
What are the key properties of 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile?
4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile has a molecular weight of 462.51 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-4,4-dimethylpyrazolidin-1-yl]quinazoline-2-carbonitrile is sourced from PubChem (CID 23156343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).