3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione

C14H14N4O2 — CID 62209218

IUPAC3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2cc3ccccc3nc2N)C1=O
InChIInChI=1S/C14H14N4O2/c1-17-8-12(19)18(14(17)20)7-10-6-9-4-2-3-5-11(9)16-13(10)15/h2-6H,7-8H2,1H3,(H2,15,16)
InChIKeyHQYBVOAJMACBPF-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.21
Rot. Bonds2

About 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione

3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione (PubChem CID 62209218) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione
PubChem CID62209218
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(Cc2cc3ccccc3nc2N)C1=O
InChIInChI=1S/C14H14N4O2/c1-17-8-12(19)18(14(17)20)7-10-6-9-4-2-3-5-11(9)16-13(10)15/h2-6H,7-8H2,1H3,(H2,15,16)
InChIKeyHQYBVOAJMACBPF-UHFFFAOYSA-N
XLogP1.21
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.21
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-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione (CID 62209218) is 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(Cc2cc3ccccc3nc2N)C1=O.
What is the InChIKey of 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is HQYBVOAJMACBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-17-8-12(19)18(14(17)20)7-10-6-9-4-2-3-5-11(9)16-13(10)15/h2-6H,7-8H2,1H3,(H2,15,16).
What are the key properties of 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione?
3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoquinolin-3-yl)methyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 62209218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).