4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide

C26H23N3O3 — CID 67025121

IUPAC4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide
SMILESCNC(=O)C(=C(CO)c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H23N3O3/c1-27-26(31)25(23(16-30)18-12-14-28-15-13-18)20-7-10-22(11-8-20)32-17-21-9-6-19-4-2-3-5-24(19)29-21/h2-15,30H,16-17H2,1H3,(H,27,31)
InChIKeyHSHDFTYYMINQNN-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.86
Rot. Bonds7

About 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide

4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide (PubChem CID 67025121) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide
PubChem CID67025121
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide
SMILESCNC(=O)C(=C(CO)c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H23N3O3/c1-27-26(31)25(23(16-30)18-12-14-28-15-13-18)20-7-10-22(11-8-20)32-17-21-9-6-19-4-2-3-5-24(19)29-21/h2-15,30H,16-17H2,1H3,(H,27,31)
InChIKeyHSHDFTYYMINQNN-UHFFFAOYSA-N
XLogP3.86
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one
CID 74959817
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
2-[[(E)-3-phenyl-2-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]propanoic acid
CID 70168941
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 11668304
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide?
The IUPAC name of 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide (CID 67025121) is 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide.
What is the SMILES notation for 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide?
The canonical SMILES for 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide is CNC(=O)C(=C(CO)c1ccncc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide?
The InChIKey is HSHDFTYYMINQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-27-26(31)25(23(16-30)18-12-14-28-15-13-18)20-7-10-22(11-8-20)32-17-21-9-6-19-4-2-3-5-24(19)29-21/h2-15,30H,16-17H2,1H3,(H,27,31).
What are the key properties of 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide?
4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide has a molecular weight of 425.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide is sourced from PubChem (CID 67025121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).