3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide

C22H26N4O4 — CID 56585413

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C22H26N4O4/c27-18(9-14-26-20(28)22(25-21(26)29)10-1-2-11-22)23-13-5-15-30-17-8-3-6-16-7-4-12-24-19(16)17/h3-4,6-8,12H,1-2,5,9-11,13-15H2,(H,23,27)(H,25,29)
InChIKeyVCQCDEFLZVWZHA-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.37
Rot. Bonds8

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide (PubChem CID 56585413) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide
PubChem CID56585413
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C22H26N4O4/c27-18(9-14-26-20(28)22(25-21(26)29)10-1-2-11-22)23-13-5-15-30-17-8-3-6-16-7-4-12-24-19(16)17/h3-4,6-8,12H,1-2,5,9-11,13-15H2,(H,23,27)(H,25,29)
InChIKeyVCQCDEFLZVWZHA-UHFFFAOYSA-N
XLogP2.37
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 9206336
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 9483144
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 131938467
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
CID 38385652
2-(4-methyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-yloxyethyl)acetamide
CID 50949310
N-[2-(cycloheptylamino)ethyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119619852

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide (CID 56585413) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide?
The InChIKey is VCQCDEFLZVWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c27-18(9-14-26-20(28)22(25-21(26)29)10-1-2-11-22)23-13-5-15-30-17-8-3-6-16-7-4-12-24-19(16)17/h3-4,6-8,12H,1-2,5,9-11,13-15H2,(H,23,27)(H,25,29).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide has a molecular weight of 410.47 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-quinolin-8-yloxypropyl)propanamide is sourced from PubChem (CID 56585413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).