(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide

C19H15FN2O2 — CID 18200446

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1F
InChIInChI=1S/C19H15FN2O2/c1-24-17-9-7-13(12-15(17)20)8-10-18(23)22-16-6-2-4-14-5-3-11-21-19(14)16/h2-12H,1H3,(H,22,23)/b10-8+
InChIKeyTVDGXFCIWJDFRO-CSKARUKUSA-N
MW322.34 g/mol
LogP4.03
Rot. Bonds4

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide (PubChem CID 18200446) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
PubChem CID18200446
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1F
InChIInChI=1S/C19H15FN2O2/c1-24-17-9-7-13(12-15(17)20)8-10-18(23)22-16-6-2-4-14-5-3-11-21-19(14)16/h2-12H,1H3,(H,22,23)/b10-8+
InChIKeyTVDGXFCIWJDFRO-CSKARUKUSA-N
XLogP4.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-fluorophenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123578
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
2-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]-6-methylbenzamide
CID 103597998
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(2-methylindazol-7-yl)prop-2-enamide
CID 45378139
2-(5-fluoro-2-methoxyphenyl)-N-quinolin-8-ylacetamide
CID 110767221
N-[3-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39188207
3-[3-(3-fluoro-4-methoxyphenyl)prop-2-enoylamino]benzamide
CID 73391551
(E)-3-(3,4-dimethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)prop-2-enamide
CID 39834698
N-(3-methylphenyl)-3-[(E)-3-oxo-3-(quinolin-8-ylamino)prop-1-enyl]benzamide
CID 159458220
(E)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 46636723
3-(3-fluoro-4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 73423480

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide (CID 18200446) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide is COc1ccc(/C=C/C(=O)Nc2cccc3cccnc23)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
The InChIKey is TVDGXFCIWJDFRO-CSKARUKUSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-24-17-9-7-13(12-15(17)20)8-10-18(23)22-16-6-2-4-14-5-3-11-21-19(14)16/h2-12H,1H3,(H,22,23)/b10-8+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide has a molecular weight of 322.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 18200446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).