N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H24FN3O3 — CID 55512306

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c2ccccc2N1
InChIInChI=1S/C22H24FN3O3/c23-16-7-5-15(6-8-16)20(26-9-11-29-12-10-26)14-24-22(28)18-13-21(27)25-19-4-2-1-3-17(18)19/h1-8,18,20H,9-14H2,(H,24,28)(H,25,27)
InChIKeyKZMIDHICWXZSSW-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.44
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 55512306) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID55512306
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c2ccccc2N1
InChIInChI=1S/C22H24FN3O3/c23-16-7-5-15(6-8-16)20(26-9-11-29-12-10-26)14-24-22(28)18-13-21(27)25-19-4-2-1-3-17(18)19/h1-8,18,20H,9-14H2,(H,24,28)(H,25,27)
InChIKeyKZMIDHICWXZSSW-UHFFFAOYSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134027214
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 37252141
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51175141
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 87025928
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119526926
4-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 4787425
4-[[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542491
N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide
CID 42948394

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 55512306) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCC(c2ccc(F)cc2)N2CCOCC2)c2ccccc2N1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KZMIDHICWXZSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-16-7-5-15(6-8-16)20(26-9-11-29-12-10-26)14-24-22(28)18-13-21(27)25-19-4-2-1-3-17(18)19/h1-8,18,20H,9-14H2,(H,24,28)(H,25,27).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 55512306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).