7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C21H23FN2O3 — CID 46421332

IUPAC7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(OCCCNC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C21H23FN2O3/c1-14(15-6-3-2-4-7-15)27-11-5-10-23-21(26)18-13-20(25)24-19-12-16(22)8-9-17(18)19/h2-4,6-9,12,14,18H,5,10-11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyZWJIXUWCLCMRQL-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.54
Rot. Bonds7

About 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46421332) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46421332
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(OCCCNC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccccc1
InChIInChI=1S/C21H23FN2O3/c1-14(15-6-3-2-4-7-15)27-11-5-10-23-21(26)18-13-20(25)24-19-12-16(22)8-9-17(18)19/h2-4,6-9,12,14,18H,5,10-11,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyZWJIXUWCLCMRQL-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46421332) is 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide is CC(OCCCNC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccccc1.
What is the InChIKey of 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ZWJIXUWCLCMRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-14(15-6-3-2-4-7-15)27-11-5-10-23-21(26)18-13-20(25)24-19-12-16(22)8-9-17(18)19/h2-4,6-9,12,14,18H,5,10-11,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-[3-(1-phenylethoxy)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46421332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).