[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C20H17FN2O4 — CID 16529880

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H17FN2O4/c1-23(11-13-6-8-14(21)9-7-13)19(25)12-27-20(26)16-10-18(24)22-17-5-3-2-4-15(16)17/h2-10H,11-12H2,1H3,(H,22,24)
InChIKeyHDFYTSOUUFGPJU-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.48
Rot. Bonds5

About [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 16529880) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID16529880
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H17FN2O4/c1-23(11-13-6-8-14(21)9-7-13)19(25)12-27-20(26)16-10-18(24)22-17-5-3-2-4-15(16)17/h2-10H,11-12H2,1H3,(H,22,24)
InChIKeyHDFYTSOUUFGPJU-UHFFFAOYSA-N
XLogP2.48
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2390297
2-O-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505379
[2-[bis(2-methoxyethyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2435886
N-benzyl-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 2977763
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(methylamino)benzoate
CID 18080618
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-ethylindole-3-carboxylate
CID 46518993
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327365
ethyl 7-fluoro-2-oxo-1H-quinoline-4-carboxylate
CID 162422252
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573437
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 16576152

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 16529880) is [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is CN(Cc1ccc(F)cc1)C(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is HDFYTSOUUFGPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-23(11-13-6-8-14(21)9-7-13)19(25)12-27-20(26)16-10-18(24)22-17-5-3-2-4-15(16)17/h2-10H,11-12H2,1H3,(H,22,24).
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 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-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 16529880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).