(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide

C21H17N3O3 — CID 2475343

IUPAC(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)c(O)c1
InChIInChI=1S/C21H17N3O3/c1-2-27-16-9-8-14(20(25)12-16)11-15(13-22)21(26)24-19-7-3-6-18-17(19)5-4-10-23-18/h3-12,25H,2H2,1H3,(H,24,26)/b15-11-
InChIKeyUIHDEHKDUZKBSS-PTNGSMBKSA-N
MW359.39 g/mol
LogP3.88
Rot. Bonds5

About (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide

(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide (PubChem CID 2475343) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
PubChem CID2475343
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
SMILESCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)c(O)c1
InChIInChI=1S/C21H17N3O3/c1-2-27-16-9-8-14(20(25)12-16)11-15(13-22)21(26)24-19-7-3-6-18-17(19)5-4-10-23-18/h3-12,25H,2H2,1H3,(H,24,26)/b15-11-
InChIKeyUIHDEHKDUZKBSS-PTNGSMBKSA-N
XLogP3.88
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2,6-dimethylphenyl)-3-(4-ethoxy-2-hydroxyphenyl)prop-2-enamide
CID 3631827
(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-ethoxy-2-hydroxyphenyl)prop-2-enamide
CID 2414220
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-ethoxy-2-hydroxyphenyl)prop-2-enamide
CID 2414218
(E)-2-cyano-3-(4-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 52901425
2-cyano-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 2790612
(Z)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-quinolin-5-ylprop-2-enamide
CID 2404333
N-[(4-chlorophenyl)methyl]-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)prop-2-enamide
CID 5022035
4-(4-ethoxyphenoxy)-N-quinolin-5-ylbutanamide
CID 5124937
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 26476001
2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
CID 2873316
(E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(2,4-diethoxyphenyl)prop-2-enamide
CID 1494494
(E)-2-cyano-3-(4-ethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 19174952

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide (CID 2475343) is (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide is CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)c(O)c1.
What is the InChIKey of (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
The InChIKey is UIHDEHKDUZKBSS-PTNGSMBKSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-27-16-9-8-14(20(25)12-16)11-15(13-22)21(26)24-19-7-3-6-18-17(19)5-4-10-23-18/h3-12,25H,2H2,1H3,(H,24,26)/b15-11-.
What are the key properties of (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide?
(Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide has a molecular weight of 359.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(4-ethoxy-2-hydroxyphenyl)-N-quinolin-5-ylprop-2-enamide is sourced from PubChem (CID 2475343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).