6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione

C16H21N3O3 — CID 154766334

IUPAC6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOCC(NC(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1
InChIInChI=1S/C16H21N3O3/c1-9(17-14(8-22-2)10-3-4-10)11-5-6-12-13(7-11)19-16(21)15(20)18-12/h5-7,9-10,14,17H,3-4,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOMQVTZDJCMOSLF-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.29
Rot. Bonds6

About 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione

6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 154766334) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID154766334
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOCC(NC(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1
InChIInChI=1S/C16H21N3O3/c1-9(17-14(8-22-2)10-3-4-10)11-5-6-12-13(7-11)19-16(21)15(20)18-12/h5-7,9-10,14,17H,3-4,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOMQVTZDJCMOSLF-UHFFFAOYSA-N
XLogP1.29
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione (CID 154766334) is 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione is COCC(NC(C)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)C1CC1.
What is the InChIKey of 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is OMQVTZDJCMOSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-9(17-14(8-22-2)10-3-4-10)11-5-6-12-13(7-11)19-16(21)15(20)18-12/h5-7,9-10,14,17H,3-4,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione?
6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 303.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(1-cyclopropyl-2-methoxyethyl)amino]ethyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 154766334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).