[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

C22H21FN2O3 — CID 18203251

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-14-18-6-4-5-7-19(18)24-15(2)21(14)22(27)28-13-20(26)25(3)12-16-8-10-17(23)11-9-16/h4-11H,12-13H2,1-3H3
InChIKeyAWHGLIGXYWTCFX-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.81
Rot. Bonds5

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (PubChem CID 18203251) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
PubChem CID18203251
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
SMILESCc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C22H21FN2O3/c1-14-18-6-4-5-7-19(18)24-15(2)21(14)22(27)28-13-20(26)25(3)12-16-8-10-17(23)11-9-16/h4-11H,12-13H2,1-3H3
InChIKeyAWHGLIGXYWTCFX-UHFFFAOYSA-N
XLogP3.81
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 8908220
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7789222
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825443
[2-(2,5-difluorophenyl)-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825189
4-O-ethyl 2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7634489
[2-oxo-2-(N-prop-2-enylanilino)ethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825442
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529880
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate (CID 18203251) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate is Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
The InChIKey is AWHGLIGXYWTCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-14-18-6-4-5-7-19(18)24-15(2)21(14)22(27)28-13-20(26)25(3)12-16-8-10-17(23)11-9-16/h4-11H,12-13H2,1-3H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate has a molecular weight of 380.42 g/mol, XLogP of 3.81, 5 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] 2,4-dimethylquinoline-3-carboxylate is sourced from PubChem (CID 18203251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).