3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide

C28H24N2O2 — CID 163216169

IUPAC3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide
SMILESCOc1ccc(C#CC(CC(=O)Nc2cccc3cccnc23)Cc2ccccc2)cc1
InChIInChI=1S/C28H24N2O2/c1-32-25-16-14-21(15-17-25)12-13-23(19-22-7-3-2-4-8-22)20-27(31)30-26-11-5-9-24-10-6-18-29-28(24)26/h2-11,14-18,23H,19-20H2,1H3,(H,30,31)
InChIKeyZKHHKRZOEBQTDB-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.48
Rot. Bonds6

About 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide

3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide (PubChem CID 163216169) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide.

Molecular Properties

Compound Name3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide
PubChem CID163216169
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide
SMILESCOc1ccc(C#CC(CC(=O)Nc2cccc3cccnc23)Cc2ccccc2)cc1
InChIInChI=1S/C28H24N2O2/c1-32-25-16-14-21(15-17-25)12-13-23(19-22-7-3-2-4-8-22)20-27(31)30-26-11-5-9-24-10-6-18-29-28(24)26/h2-11,14-18,23H,19-20H2,1H3,(H,30,31)
InChIKeyZKHHKRZOEBQTDB-UHFFFAOYSA-N
XLogP5.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.48
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

(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
3-benzyl-N-quinolin-8-yl-4-trimethylsilylbutanamide
CID 163364528
(Z)-4-(4-methoxyphenyl)-3-phenyl-N-quinolin-8-ylbut-3-enamide
CID 166440512
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
2-(4-methoxyphenyl)-N-[4-(quinolin-8-ylamino)phenyl]acetamide
CID 112989310
N-(4-methoxyphenyl)-2-[(R)-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfinyl]acetamide
CID 51552903
2-benzyl-3-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-N-quinolin-8-ylpropanamide
CID 102136704
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-quinolin-8-ylacetamide
CID 110437464
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 95285871
N-[2-(3-methoxyphenyl)ethyl]-N'-quinolin-8-ylpropanediamide
CID 108948737
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide?
The IUPAC name of 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide (CID 163216169) is 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide.
What is the SMILES notation for 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide?
The canonical SMILES for 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide is COc1ccc(C#CC(CC(=O)Nc2cccc3cccnc23)Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide?
The InChIKey is ZKHHKRZOEBQTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-32-25-16-14-21(15-17-25)12-13-23(19-22-7-3-2-4-8-22)20-27(31)30-26-11-5-9-24-10-6-18-29-28(24)26/h2-11,14-18,23H,19-20H2,1H3,(H,30,31).
What are the key properties of 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide?
3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide has a molecular weight of 420.51 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-methoxyphenyl)-N-quinolin-8-ylpent-4-ynamide is sourced from PubChem (CID 163216169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).