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

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

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Related Compounds

Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
N-(furan-2-ylmethyl)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
CID 16293711
2-[4-(2-furoyl)piperazino]-N-phenyl-propionamide
CID 16327673
N-[2-(morpholin-4-yl)phenyl]furan-2-carboxamide
CID 735896
Furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone
CID 171061356
(E)-3-(furan-2-yl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 887818
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 3121020
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 3121023
N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4261636
N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]furan-2-carboxamide
CID 6473394
Furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2521701

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).