(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide

C21H19ClN2O3 — CID 26888396

IUPAC(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2cccc3ncccc23)cc(Cl)c1OC
InChIInChI=1S/C21H19ClN2O3/c1-3-27-19-13-14(12-16(22)21(19)26-2)9-10-20(25)24-18-8-4-7-17-15(18)6-5-11-23-17/h4-13H,3H2,1-2H3,(H,24,25)/b10-9+
InChIKeyITIJDSOHAJLVSD-MDZDMXLPSA-N
MW382.85 g/mol
LogP4.95
Rot. Bonds6

About (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide (PubChem CID 26888396) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide
PubChem CID26888396
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2cccc3ncccc23)cc(Cl)c1OC
InChIInChI=1S/C21H19ClN2O3/c1-3-27-19-13-14(12-16(22)21(19)26-2)9-10-20(25)24-18-8-4-7-17-15(18)6-5-11-23-17/h4-13H,3H2,1-2H3,(H,24,25)/b10-9+
InChIKeyITIJDSOHAJLVSD-MDZDMXLPSA-N
XLogP4.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2,6-diethylphenyl)prop-2-enamide
CID 26880303
(E)-N-(3-acetamidophenyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 26103186
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341499
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 8714301
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783176
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2,3-dimethylphenyl)prop-2-enamide
CID 9342357
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]prop-2-enamide
CID 55700686
(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
CID 952560
3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
CID 75266195
(2-bromo-3-pyridinyl) 3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 76870012
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]prop-2-enamide
CID 55540272
methyl 4-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 8764916

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide (CID 26888396) is (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide is CCOc1cc(/C=C/C(=O)Nc2cccc3ncccc23)cc(Cl)c1OC.
What is the InChIKey of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The InChIKey is ITIJDSOHAJLVSD-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-3-27-19-13-14(12-16(22)21(19)26-2)9-10-20(25)24-18-8-4-7-17-15(18)6-5-11-23-17/h4-13H,3H2,1-2H3,(H,24,25)/b10-9+.
What are the key properties of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide?
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide has a molecular weight of 382.85 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-quinolin-5-ylprop-2-enamide is sourced from PubChem (CID 26888396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).