3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one

C26H23N3O2 — CID 74959817

IUPAC3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one
SMILESCN(C)C=C(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1
InChIInChI=1S/C26H23N3O2/c1-29(2)17-24(19-13-15-27-16-14-19)26(30)21-8-11-23(12-9-21)31-18-22-10-7-20-5-3-4-6-25(20)28-22/h3-17H,18H2,1-2H3
InChIKeyZFYIYLALLZECSE-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.99
Rot. Bonds7

About 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one

3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one (PubChem CID 74959817) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one
PubChem CID74959817
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one
SMILESCN(C)C=C(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1
InChIInChI=1S/C26H23N3O2/c1-29(2)17-24(19-13-15-27-16-14-19)26(30)21-8-11-23(12-9-21)31-18-22-10-7-20-5-3-4-6-25(20)28-22/h3-17H,18H2,1-2H3
InChIKeyZFYIYLALLZECSE-UHFFFAOYSA-N
XLogP4.99
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
4-hydroxy-N-methyl-3-pyridin-4-yl-2-[4-(quinolin-2-ylmethoxy)phenyl]but-2-enamide
CID 67025121
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507
(E)-3-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-2-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enamide
CID 54591118
(E)-3-(dimethylamino)-2-(4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 15729872
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
2-[[(E)-3-phenyl-2-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]propanoic acid
CID 70168941
methyl 7-(quinolin-2-ylmethoxy)naphthalene-2-carboxylate
CID 23224644
CID 162335511
CID 162335511
[3-[4-(quinolin-2-ylmethoxy)benzoyl]phenyl] acetate
CID 57179399

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one (CID 74959817) is 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one is CN(C)C=C(C(=O)c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccncc1.
What is the InChIKey of 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one?
The InChIKey is ZFYIYLALLZECSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-29(2)17-24(19-13-15-27-16-14-19)26(30)21-8-11-23(12-9-21)31-18-22-10-7-20-5-3-4-6-25(20)28-22/h3-17H,18H2,1-2H3.
What are the key properties of 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one?
3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one has a molecular weight of 409.49 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-pyridin-4-yl-1-[4-(quinolin-2-ylmethoxy)phenyl]prop-2-en-1-one is sourced from PubChem (CID 74959817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).