[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C23H23FN2O3 — CID 8908220

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C23H23FN2O3/c1-4-19-15(2)22(18-7-5-6-8-20(18)25-19)23(28)29-14-21(27)26(3)13-16-9-11-17(24)12-10-16/h5-12H,4,13-14H2,1-3H3
InChIKeyCEVUEVZRGBBDES-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.06
Rot. Bonds6

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 8908220) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID8908220
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)c1C
InChIInChI=1S/C23H23FN2O3/c1-4-19-15(2)22(18-7-5-6-8-20(18)25-19)23(28)29-14-21(27)26(3)13-16-9-11-17(24)12-10-16/h5-12H,4,13-14H2,1-3H3
InChIKeyCEVUEVZRGBBDES-UHFFFAOYSA-N
XLogP4.06
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 18203251
[2-(dimethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2092337
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789222
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
4-O-ethyl 2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7634489
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2553438
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2091899
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 6601105
2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2428274

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 8908220) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)Cc2ccc(F)cc2)c1C.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is CEVUEVZRGBBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-4-19-15(2)22(18-7-5-6-8-20(18)25-19)23(28)29-14-21(27)26(3)13-16-9-11-17(24)12-10-16/h5-12H,4,13-14H2,1-3H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 8908220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).