(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide

C19H15FN2O — CID 17391018

IUPAC(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O/c20-16-8-5-14(6-9-16)13-21-19(23)12-11-17-10-7-15-3-1-2-4-18(15)22-17/h1-12H,13H2,(H,21,23)/b12-11+
InChIKeyYZHRKNUHBXGXJW-VAWYXSNFSA-N
MW306.34 g/mol
LogP3.70
Rot. Bonds4

About (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide

(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide (PubChem CID 17391018) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide
PubChem CID17391018
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O/c20-16-8-5-14(6-9-16)13-21-19(23)12-11-17-10-7-15-3-1-2-4-18(15)22-17/h1-12H,13H2,(H,21,23)/b12-11+
InChIKeyYZHRKNUHBXGXJW-VAWYXSNFSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.70
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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Related Compounds

(E)-N-butyl-3-quinolin-2-ylprop-2-enamide
CID 30282284
(E)-N-(3-aminopropyl)-3-quinolin-2-ylprop-2-enamide
CID 110486554
(E)-3-(6-fluoroquinolin-2-yl)-N-propylprop-2-enamide
CID 110490441
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 4797449
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 887747
(E)-4-[(4-fluorophenyl)methylamino]-4-oxobut-2-enoic acid
CID 711811
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
N-[(4-fluorophenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 868947
4-[(4-fluorophenyl)methylamino]-4-oxobut-2-enoate
CID 4740167
(E)-N-(3-ethylphenyl)-3-quinolin-2-ylprop-2-enamide
CID 25337159
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-quinolin-2-ylprop-2-enoate
CID 71953116
4-[[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 17171986

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide (CID 17391018) is (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide is O=C(/C=C/c1ccc2ccccc2n1)NCc1ccc(F)cc1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide?
The InChIKey is YZHRKNUHBXGXJW-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-16-8-5-14(6-9-16)13-21-19(23)12-11-17-10-7-15-3-1-2-4-18(15)22-17/h1-12H,13H2,(H,21,23)/b12-11+.
What are the key properties of (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide?
(E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide has a molecular weight of 306.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methyl]-3-quinolin-2-ylprop-2-enamide is sourced from PubChem (CID 17391018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).