(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione

C17H19N3O2 — CID 95631707

IUPAC(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(Cc2cc(C)nc3ccccc23)C1=O
InChIInChI=1S/C17H19N3O2/c1-3-6-15-16(21)20(17(22)19-15)10-12-9-11(2)18-14-8-5-4-7-13(12)14/h4-5,7-9,15H,3,6,10H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyLBHGZRAIWTXSLV-OAHLLOKOSA-N
MW297.36 g/mol
LogP2.76
Rot. Bonds4

About (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione

(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 95631707) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID95631707
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@H]1NC(=O)N(Cc2cc(C)nc3ccccc23)C1=O
InChIInChI=1S/C17H19N3O2/c1-3-6-15-16(21)20(17(22)19-15)10-12-9-11(2)18-14-8-5-4-7-13(12)14/h4-5,7-9,15H,3,6,10H2,1-2H3,(H,19,22)/t15-/m1/s1
InChIKeyLBHGZRAIWTXSLV-OAHLLOKOSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione (CID 95631707) is (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione is CCC[C@H]1NC(=O)N(Cc2cc(C)nc3ccccc23)C1=O.
What is the InChIKey of (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is LBHGZRAIWTXSLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-6-15-16(21)20(17(22)19-15)10-12-9-11(2)18-14-8-5-4-7-13(12)14/h4-5,7-9,15H,3,6,10H2,1-2H3,(H,19,22)/t15-/m1/s1.
What are the key properties of (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 297.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 95631707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).