3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one

C18H19N3O2 — CID 86774510

IUPAC3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(CN(Cc2ccco2)C2CC2)nc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-20-17-7-3-2-6-15(17)19-16(18(20)22)12-21(13-8-9-13)11-14-5-4-10-23-14/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyFDLAEPSGPSUACO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.69
Rot. Bonds5

About 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one

3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one (PubChem CID 86774510) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one
PubChem CID86774510
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(CN(Cc2ccco2)C2CC2)nc2ccccc21
InChIInChI=1S/C18H19N3O2/c1-20-17-7-3-2-6-15(17)19-16(18(20)22)12-21(13-8-9-13)11-14-5-4-10-23-14/h2-7,10,13H,8-9,11-12H2,1H3
InChIKeyFDLAEPSGPSUACO-UHFFFAOYSA-N
XLogP2.69
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one?
The IUPAC name of 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one (CID 86774510) is 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one?
The canonical SMILES for 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one is Cn1c(=O)c(CN(Cc2ccco2)C2CC2)nc2ccccc21.
What is the InChIKey of 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one?
The InChIKey is FDLAEPSGPSUACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20-17-7-3-2-6-15(17)19-16(18(20)22)12-21(13-8-9-13)11-14-5-4-10-23-14/h2-7,10,13H,8-9,11-12H2,1H3.
What are the key properties of 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one?
3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one is sourced from PubChem (CID 86774510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).