N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C19H19FN2O4S — CID 170637824

IUPACN-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC/C=C/S(=O)(=O)c1cccc(F)c1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H19FN2O4S/c20-14-6-3-7-15(12-14)27(25,26)10-4-9-21-18(23)16-11-13-5-1-2-8-17(13)22-19(16)24/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,21,23)(H,22,24)/b10-4+
InChIKeyPPNMNZODVXSHLZ-ONNFQVAWSA-N
MW390.44 g/mol
LogP2.11
Rot. Bonds5

About N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 170637824) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID170637824
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC NameN-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NC/C=C/S(=O)(=O)c1cccc(F)c1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C19H19FN2O4S/c20-14-6-3-7-15(12-14)27(25,26)10-4-9-21-18(23)16-11-13-5-1-2-8-17(13)22-19(16)24/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,21,23)(H,22,24)/b10-4+
InChIKeyPPNMNZODVXSHLZ-ONNFQVAWSA-N
XLogP2.11
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 170637824) is N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NC/C=C/S(=O)(=O)c1cccc(F)c1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is PPNMNZODVXSHLZ-ONNFQVAWSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c20-14-6-3-7-15(12-14)27(25,26)10-4-9-21-18(23)16-11-13-5-1-2-8-17(13)22-19(16)24/h3-4,6-7,10-12H,1-2,5,8-9H2,(H,21,23)(H,22,24)/b10-4+.
What are the key properties of N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(3-fluorophenyl)sulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 170637824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).