(E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide

C32H34N2O2 — CID 132571620

IUPAC(E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide
SMILESCc1ccc(C)c(OCCCC(C)(C/C=C/c2ccccc2)C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C32H34N2O2/c1-24-17-18-25(2)29(23-24)36-22-10-20-32(3,19-8-13-26-11-5-4-6-12-26)31(35)34-28-16-7-14-27-15-9-21-33-30(27)28/h4-9,11-18,21,23H,10,19-20,22H2,1-3H3,(H,34,35)/b13-8+
InChIKeyHOGFBVMBJHKBAB-MDWZMJQESA-N
MW478.64 g/mol
LogP7.76
Rot. Bonds10

About (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide

(E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide (PubChem CID 132571620) has the molecular formula C32H34N2O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide.

Molecular Properties

Compound Name(E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide
PubChem CID132571620
Molecular FormulaC32H34N2O2
Molecular Weight478.64 g/mol
Exact Mass478.26
IUPAC Name(E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide
SMILESCc1ccc(C)c(OCCCC(C)(C/C=C/c2ccccc2)C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C32H34N2O2/c1-24-17-18-25(2)29(23-24)36-22-10-20-32(3,19-8-13-26-11-5-4-6-12-26)31(35)34-28-16-7-14-27-15-9-21-33-30(27)28/h4-9,11-18,21,23H,10,19-20,22H2,1-3H3,(H,34,35)/b13-8+
InChIKeyHOGFBVMBJHKBAB-MDWZMJQESA-N
XLogP7.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-(4-ethylphenyl)-2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 132571626
(E)-3-phenyl-N-quinolin-8-ylprop-2-enamide
CID 952598
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-[2-(3-phenylpropoxy)phenyl]pentanamide
CID 54783951
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
2,2-dimethyl-N-quinolin-8-ylpropanamide;molecular hydrogen
CID 143593011
2,2-dimethyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 132571622
tert-butyl N-[4-oxo-4-(quinolin-8-ylamino)butyl]carbamate
CID 51217671
2,2-dimethyl-N-quinolin-8-ylpent-4-enamide
CID 170781883
2-methyl-2-phenyl-N-quinolin-8-ylheptanamide
CID 102129340
N-quinolin-8-yl-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978120
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821

Frequently Asked Questions

What is the IUPAC name of (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide?
The IUPAC name of (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide (CID 132571620) is (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide.
What is the SMILES notation for (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide?
The canonical SMILES for (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide is Cc1ccc(C)c(OCCCC(C)(C/C=C/c2ccccc2)C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide?
The InChIKey is HOGFBVMBJHKBAB-MDWZMJQESA-N. The full InChI is InChI=1S/C32H34N2O2/c1-24-17-18-25(2)29(23-24)36-22-10-20-32(3,19-8-13-26-11-5-4-6-12-26)31(35)34-28-16-7-14-27-15-9-21-33-30(27)28/h4-9,11-18,21,23H,10,19-20,22H2,1-3H3,(H,34,35)/b13-8+.
What are the key properties of (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide?
(E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide has a molecular weight of 478.64 g/mol, XLogP of 7.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[3-(2,5-dimethylphenoxy)propyl]-2-methyl-5-phenyl-N-quinolin-8-ylpent-4-enamide is sourced from PubChem (CID 132571620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).