4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide

C23H22N2O2 — CID 90579761

IUPAC4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
SMILESO=C(CCCc1ccccc1)NCC#CCOc1cccc2cccnc12
InChIInChI=1S/C23H22N2O2/c26-22(15-6-11-19-9-2-1-3-10-19)24-16-4-5-18-27-21-14-7-12-20-13-8-17-25-23(20)21/h1-3,7-10,12-14,17H,6,11,15-16,18H2,(H,24,26)
InChIKeyXHMDGTDDRCZGLP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.76
Rot. Bonds7

About 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide

4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide (PubChem CID 90579761) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide.

Molecular Properties

Compound Name4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
PubChem CID90579761
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
SMILESO=C(CCCc1ccccc1)NCC#CCOc1cccc2cccnc12
InChIInChI=1S/C23H22N2O2/c26-22(15-6-11-19-9-2-1-3-10-19)24-16-4-5-18-27-21-14-7-12-20-13-8-17-25-23(20)21/h1-3,7-10,12-14,17H,6,11,15-16,18H2,(H,24,26)
InChIKeyXHMDGTDDRCZGLP-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
N-[4-(2-methylphenoxy)but-2-ynyl]-4-phenylbutanamide
CID 90575257
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752
2-indol-1-yl-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579587
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579593
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893
4-bromo-N-(4-naphthalen-1-yloxybut-2-ynyl)butanamide
CID 90578167
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
N-(4-quinolin-8-yloxybut-2-ynyl)-9H-xanthene-9-carboxamide
CID 90579776
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide?
The IUPAC name of 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide (CID 90579761) is 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide.
What is the SMILES notation for 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide?
The canonical SMILES for 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide is O=C(CCCc1ccccc1)NCC#CCOc1cccc2cccnc12.
What is the InChIKey of 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide?
The InChIKey is XHMDGTDDRCZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22(15-6-11-19-9-2-1-3-10-19)24-16-4-5-18-27-21-14-7-12-20-13-8-17-25-23(20)21/h1-3,7-10,12-14,17H,6,11,15-16,18H2,(H,24,26).
What are the key properties of 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide?
4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide has a molecular weight of 358.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide is sourced from PubChem (CID 90579761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).