(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

C20H26N5O3+ — CID 135751657

IUPAC(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](Cc1nc2ccccc2c(=O)[nH]1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H25N5O3/c1-2-24(12-16-21-15-9-5-4-8-14(15)17(26)22-16)13-25-18(27)20(23-19(25)28)10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,23,28)(H,21,22,26)/p+1
InChIKeyJUCPQJBOQNJZSI-UHFFFAOYSA-O
MW384.46 g/mol
LogP0.54
Rot. Bonds5

About (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium

(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (PubChem CID 135751657) has the molecular formula C20H26N5O3+ and a molecular weight of 384.46 g/mol. Its IUPAC name is (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.

Molecular Properties

Compound Name(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
PubChem CID135751657
Molecular FormulaC20H26N5O3+
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
SMILESCC[NH+](Cc1nc2ccccc2c(=O)[nH]1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C20H25N5O3/c1-2-24(12-16-21-15-9-5-4-8-14(15)17(26)22-16)13-25-18(27)20(23-19(25)28)10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,23,28)(H,21,22,26)/p+1
InChIKeyJUCPQJBOQNJZSI-UHFFFAOYSA-O
XLogP0.54
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135599212
ethyl-[[(4S)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751665
(3-cyclopentyl-4,5-dimethyl-2-sulfanylideneimidazol-1-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135553106
ethyl-[[(2R)-oxan-2-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808115
ethyl-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135751759
(5R,6S)-3-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135754022
(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl-bis(2-phenylethyl)azanium
CID 9460381
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 2470456
ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 135808249
ethyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808099
(4-oxo-3H-quinazolin-2-yl)methyl-bis(thiophen-2-ylmethyl)azanium
CID 135751190
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 135725466

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The IUPAC name of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium (CID 135751657) is (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium.
What is the SMILES notation for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The canonical SMILES for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is CC[NH+](Cc1nc2ccccc2c(=O)[nH]1)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
The InChIKey is JUCPQJBOQNJZSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N5O3/c1-2-24(12-16-21-15-9-5-4-8-14(15)17(26)22-16)13-25-18(27)20(23-19(25)28)10-6-3-7-11-20/h4-5,8-9H,2-3,6-7,10-13H2,1H3,(H,23,28)(H,21,22,26)/p+1.
What are the key properties of (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium?
(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium has a molecular weight of 384.46 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium is sourced from PubChem (CID 135751657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).