1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione

C17H17N3O3 — CID 17492243

IUPAC1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(Cc2cccc3cccnc23)C1=O
InChIInChI=1S/C17H17N3O3/c1-11(2)9-19-15(21)16(22)20(17(19)23)10-13-6-3-5-12-7-4-8-18-14(12)13/h3-8,11H,9-10H2,1-2H3
InChIKeySSONCVPHEMXAHG-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.18
Rot. Bonds4

About 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione

1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 17492243) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID17492243
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
SMILESCC(C)CN1C(=O)C(=O)N(Cc2cccc3cccnc23)C1=O
InChIInChI=1S/C17H17N3O3/c1-11(2)9-19-15(21)16(22)20(17(19)23)10-13-6-3-5-12-7-4-8-18-14(12)13/h3-8,11H,9-10H2,1-2H3
InChIKeySSONCVPHEMXAHG-UHFFFAOYSA-N
XLogP2.18
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(quinolin-8-ylmethyl)pyrrole-2,5-dione
CID 81428770
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
1-methyl-3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 33097424
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66404673
1-quinolin-8-ylpropan-2-amine
CID 63968867
2-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]propan-1-one
CID 79108258
N-(2-methylpropyl)-1-(quinolin-8-ylmethyl)imidazol-2-amine
CID 106577448
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione (CID 17492243) is 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione is CC(C)CN1C(=O)C(=O)N(Cc2cccc3cccnc23)C1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is SSONCVPHEMXAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(2)9-19-15(21)16(22)20(17(19)23)10-13-6-3-5-12-7-4-8-18-14(12)13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione?
1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 311.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 17492243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).