3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione

C17H16N4O3 — CID 121159439

IUPAC3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc2cccc(C(=O)N3CC(N4C(=O)CNC4=O)C3)c2n1
InChIInChI=1S/C17H16N4O3/c1-10-5-6-11-3-2-4-13(15(11)19-10)16(23)20-8-12(9-20)21-14(22)7-18-17(21)24/h2-6,12H,7-9H2,1H3,(H,18,24)
InChIKeyQIRLLUAIJYKRBL-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.92
Rot. Bonds2

About 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159439) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159439
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc2cccc(C(=O)N3CC(N4C(=O)CNC4=O)C3)c2n1
InChIInChI=1S/C17H16N4O3/c1-10-5-6-11-3-2-4-13(15(11)19-10)16(23)20-8-12(9-20)21-14(22)7-18-17(21)24/h2-6,12H,7-9H2,1H3,(H,18,24)
InChIKeyQIRLLUAIJYKRBL-UHFFFAOYSA-N
XLogP0.92
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121159439) is 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is Cc1ccc2cccc(C(=O)N3CC(N4C(=O)CNC4=O)C3)c2n1.
What is the InChIKey of 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is QIRLLUAIJYKRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-5-6-11-3-2-4-13(15(11)19-10)16(23)20-8-12(9-20)21-14(22)7-18-17(21)24/h2-6,12H,7-9H2,1H3,(H,18,24).
What are the key properties of 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 324.34 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylquinoline-8-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).