3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione

C17H22N4O2 — CID 71867375

IUPAC3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C17H22N4O2/c22-16-11-18-17(23)21(16)10-9-19-7-8-20(12-13-5-6-13)15-4-2-1-3-14(15)19/h1-4,13H,5-12H2,(H,18,23)
InChIKeyUCGYHNLENIIRGU-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.27
Rot. Bonds5

About 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 71867375) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID71867375
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C17H22N4O2/c22-16-11-18-17(23)21(16)10-9-19-7-8-20(12-13-5-6-13)15-4-2-1-3-14(15)19/h1-4,13H,5-12H2,(H,18,23)
InChIKeyUCGYHNLENIIRGU-UHFFFAOYSA-N
XLogP1.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]imidazolidine-2,4-dione
CID 75521538
1-(cyclohexylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62874787
3-[3-(2,3-dihydro-1,4-benzoxazin-4-yl)propyl]imidazolidine-2,4-dione
CID 56799099
1-(oxan-4-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909619
3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 95176586
3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 60966909
3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81492860
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
3-[2-[(2R)-2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]imidazolidine-2,4-dione
CID 124727509
1-[2-[4-(2,2,2-trifluoroethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71865859
1-(oxolan-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909620
7-[4-(cyclopropylmethyl)-2,3-dihydroquinoxaline-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 127380996

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione (CID 71867375) is 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCN1CCN(CC2CC2)c2ccccc21.
What is the InChIKey of 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is UCGYHNLENIIRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-16-11-18-17(23)21(16)10-9-19-7-8-20(12-13-5-6-13)15-4-2-1-3-14(15)19/h1-4,13H,5-12H2,(H,18,23).
What are the key properties of 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 314.39 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71867375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).