4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

C20H22FN3O3 — CID 9349298

IUPAC4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H22FN3O3/c1-3-23(11-14-8-9-18(27-2)15(21)10-14)13-20(26)24-12-19(25)22-16-6-4-5-7-17(16)24/h4-10H,3,11-13H2,1-2H3,(H,22,25)
InChIKeyVIXFLMRRXRLHPE-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.64
Rot. Bonds6

About 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 9349298) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID9349298
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C20H22FN3O3/c1-3-23(11-14-8-9-18(27-2)15(21)10-14)13-20(26)24-12-19(25)22-16-6-4-5-7-17(16)24/h4-10H,3,11-13H2,1-2H3,(H,22,25)
InChIKeyVIXFLMRRXRLHPE-UHFFFAOYSA-N
XLogP2.64
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9349297
4-[2-[ethyl(thiophen-2-ylmethyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8718340
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
(4S)-5-[2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 30344865
4-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9103714
N-ethyl-2-[ethyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]amino]acetamide
CID 9433179
ethyl 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetate
CID 60696173
4-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 8746830
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazine-2,6-dione
CID 66083020
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2,5-dimethoxybenzoate
CID 7561082

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one (CID 9349298) is 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is CCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is VIXFLMRRXRLHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-3-23(11-14-8-9-18(27-2)15(21)10-14)13-20(26)24-12-19(25)22-16-6-4-5-7-17(16)24/h4-10H,3,11-13H2,1-2H3,(H,22,25).
What are the key properties of 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 371.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 9349298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).