7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H15FN2O3 — CID 18137244

IUPAC7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccco1
InChIInChI=1S/C16H15FN2O3/c1-9(14-3-2-6-22-14)18-16(21)12-8-15(20)19-13-7-10(17)4-5-11(12)13/h2-7,9,12H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyMOWILDBDOXNTRT-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.72
Rot. Bonds3

About 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18137244) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18137244
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccco1
InChIInChI=1S/C16H15FN2O3/c1-9(14-3-2-6-22-14)18-16(21)12-8-15(20)19-13-7-10(17)4-5-11(12)13/h2-7,9,12H,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyMOWILDBDOXNTRT-UHFFFAOYSA-N
XLogP2.72
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18137244) is 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is CC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccco1.
What is the InChIKey of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is MOWILDBDOXNTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3/c1-9(14-3-2-6-22-14)18-16(21)12-8-15(20)19-13-7-10(17)4-5-11(12)13/h2-7,9,12H,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[1-(furan-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18137244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).