(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide

C15H15FN2O — CID 110490441

IUPAC(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H15FN2O/c1-2-9-17-15(19)8-6-13-5-3-11-10-12(16)4-7-14(11)18-13/h3-8,10H,2,9H2,1H3,(H,17,19)/b8-6+
InChIKeyVMZIMXPERLHTSN-SOFGYWHQSA-N
MW258.30 g/mol
LogP2.91
Rot. Bonds4

About (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide

(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide (PubChem CID 110490441) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide
PubChem CID110490441
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide
SMILESCCCNC(=O)/C=C/c1ccc2cc(F)ccc2n1
InChIInChI=1S/C15H15FN2O/c1-2-9-17-15(19)8-6-13-5-3-11-10-12(16)4-7-14(11)18-13/h3-8,10H,2,9H2,1H3,(H,17,19)/b8-6+
InChIKeyVMZIMXPERLHTSN-SOFGYWHQSA-N
XLogP2.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide (CID 110490441) is (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide is CCCNC(=O)/C=C/c1ccc2cc(F)ccc2n1.
What is the InChIKey of (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide?
The InChIKey is VMZIMXPERLHTSN-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-2-9-17-15(19)8-6-13-5-3-11-10-12(16)4-7-14(11)18-13/h3-8,10H,2,9H2,1H3,(H,17,19)/b8-6+.
What are the key properties of (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide?
(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide has a molecular weight of 258.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide is sourced from PubChem (CID 110490441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).