3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione

C12H13N3O2 — CID 107842168

IUPAC3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc2c(c1)NCCC2
InChIInChI=1S/C12H13N3O2/c16-11-7-14-12(17)15(11)9-4-3-8-2-1-5-13-10(8)6-9/h3-4,6,13H,1-2,5,7H2,(H,14,17)
InChIKeyKJNNUTTVAGWOCS-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.10
Rot. Bonds1

About 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione

3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione (PubChem CID 107842168) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione
PubChem CID107842168
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1c1ccc2c(c1)NCCC2
InChIInChI=1S/C12H13N3O2/c16-11-7-14-12(17)15(11)9-4-3-8-2-1-5-13-10(8)6-9/h3-4,6,13H,1-2,5,7H2,(H,14,17)
InChIKeyKJNNUTTVAGWOCS-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,6-dimethyl-3-(1,2,3,4-tetrahydroquinolin-7-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835545
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
3-methyl-1-(1,2,3,4-tetrahydroquinolin-7-yl)pyrrole-2,5-dione
CID 63929987
7-(3-tert-butylazetidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 79677091
1-[4-(1,2,3,4-tetrahydroquinolin-7-yl)-1,4-diazepan-1-yl]ethanone
CID 81215154
7-(4-tert-butylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215314
7-(3,4-dimethylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214534
2-methyl-4-(1,2,3,4-tetrahydroquinolin-7-yl)morpholine
CID 81214763
7-(3-methylpyrazol-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81224448
4-(1,2,3,4-tetrahydroquinolin-7-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 81214589
7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215017
7-(2-methylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215477

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione (CID 107842168) is 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione is O=C1CNC(=O)N1c1ccc2c(c1)NCCC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione?
The InChIKey is KJNNUTTVAGWOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-7-14-12(17)15(11)9-4-3-8-2-1-5-13-10(8)6-9/h3-4,6,13H,1-2,5,7H2,(H,14,17).
What are the key properties of 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione?
3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione has a molecular weight of 231.25 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroquinolin-7-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 107842168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).