4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide

C26H20N4O4 — CID 121273414

IUPAC4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
SMILESCOCC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1
InChIInChI=1S/C26H20N4O4/c1-33-16-4-6-25(31)29-19-9-12-22-21(17-19)23(13-15-27-22)34-20-10-7-18(8-11-20)26(32)30-24-5-2-3-14-28-24/h2-3,5,7-15,17H,16H2,1H3,(H,29,31)(H,28,30,32)
InChIKeyVABLTANFRWXCCO-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.26
Rot. Bonds6

About 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide

4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide (PubChem CID 121273414) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
PubChem CID121273414
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC Name4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
SMILESCOCC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1
InChIInChI=1S/C26H20N4O4/c1-33-16-4-6-25(31)29-19-9-12-22-21(17-19)23(13-15-27-22)34-20-10-7-18(8-11-20)26(32)30-24-5-2-3-14-28-24/h2-3,5,7-15,17H,16H2,1H3,(H,29,31)(H,28,30,32)
InChIKeyVABLTANFRWXCCO-UHFFFAOYSA-N
XLogP4.26
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide with MolForge

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Related Compounds

Vuf8504
CID 10247610
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
US11866436, Example 7
CID 164914982
4-[6-(but-2-ynoylamino)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273411
4-[6-(but-2-ynoylamino)-7-(2-morpholin-4-ylethoxy)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273567
4-[6-(4-hydroxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121273724
4-[6-(4-morpholin-4-ylbut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280705
4-[7-methoxy-6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280741
4-[7-methoxy-6-(4-morpholin-4-ylbut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 121280762
4-[6-(5-morpholin-4-ylpent-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide
CID 145059705
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide (CID 121273414) is 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide is COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1.
What is the InChIKey of 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
The InChIKey is VABLTANFRWXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c1-33-16-4-6-25(31)29-19-9-12-22-21(17-19)23(13-15-27-22)34-20-10-7-18(8-11-20)26(32)30-24-5-2-3-14-28-24/h2-3,5,7-15,17H,16H2,1H3,(H,29,31)(H,28,30,32).
What are the key properties of 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide?
4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide has a molecular weight of 452.47 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-methoxybut-2-ynoylamino)quinolin-4-yl]oxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 121273414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).