3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C28H30N4O2 — CID 26133781

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2
InChIInChI=1S/C28H30N4O2/c1-2-31-27(34)32(24-17-21-6-3-4-7-22(21)18-24)26(33)28(31)11-14-30(15-12-28)19-20-9-10-25-23(16-20)8-5-13-29-25/h3-10,13,16,24H,2,11-12,14-15,17-19H2,1H3
InChIKeyJQONJPMODKOWHD-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.02
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26133781) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26133781
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2
InChIInChI=1S/C28H30N4O2/c1-2-31-27(34)32(24-17-21-6-3-4-7-22(21)18-24)26(33)28(31)11-14-30(15-12-28)19-20-9-10-25-23(16-20)8-5-13-29-25/h3-10,13,16,24H,2,11-12,14-15,17-19H2,1H3
InChIKeyJQONJPMODKOWHD-UHFFFAOYSA-N
XLogP4.02
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione 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-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methylbenzimidazol-2-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228809
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[[4-(furan-2-yl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224701
3,8-bis(2,3-dihydro-1H-inden-2-yl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224799
3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140425
1-(2-methoxyethyl)-3-methyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213967
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(1-methylindol-3-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225516
N-[4-[[3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]phenyl]acetamide
CID 26134189
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26227578
8-(1H-benzimidazol-2-ylmethyl)-3-(2,3-dihydro-1H-inden-2-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26230632
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine
CID 171675677
1-ethyl-8-[(3-methoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26234762

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26133781) is 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1ccc3ncccc3c1)CC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JQONJPMODKOWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-2-31-27(34)32(24-17-21-6-3-4-7-22(21)18-24)26(33)28(31)11-14-30(15-12-28)19-20-9-10-25-23(16-20)8-5-13-29-25/h3-10,13,16,24H,2,11-12,14-15,17-19H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 454.57 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-1-ethyl-8-(quinolin-6-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26133781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).