[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C20H18F2N2O4 — CID 46695886

IUPAC[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)C1CC(=O)Nc2cc(F)ccc21)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O4/c1-11(19(26)23-10-12-2-4-13(21)5-3-12)28-20(27)16-9-18(25)24-17-8-14(22)6-7-15(16)17/h2-8,11,16H,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyMVOBDOPHTMZJKU-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.64
Rot. Bonds5

About [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 46695886) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID46695886
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)C1CC(=O)Nc2cc(F)ccc21)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O4/c1-11(19(26)23-10-12-2-4-13(21)5-3-12)28-20(27)16-9-18(25)24-17-8-14(22)6-7-15(16)17/h2-8,11,16H,9-10H2,1H3,(H,23,26)(H,24,25)
InChIKeyMVOBDOPHTMZJKU-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
[(1R,3R)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl] (4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 124858338
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 8738643
[4-(trifluoromethyl)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 46696034
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-propan-2-ylamino]acetate
CID 78884778
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31615064
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
3-(ethylcarbamoylamino)propyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
CID 91642525
2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252685
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 37252141

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 46695886) is [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is CC(OC(=O)C1CC(=O)Nc2cc(F)ccc21)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is MVOBDOPHTMZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c1-11(19(26)23-10-12-2-4-13(21)5-3-12)28-20(27)16-9-18(25)24-17-8-14(22)6-7-15(16)17/h2-8,11,16H,9-10H2,1H3,(H,23,26)(H,24,25).
What are the key properties of [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 388.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 46695886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).