3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide

C22H28N2O2 — CID 57001868

IUPAC3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide
SMILESCC(C=CCCCCCCCOc1ccc2ccccc2n1)=CC(N)=O
InChIInChI=1S/C22H28N2O2/c1-18(17-21(23)25)11-7-5-3-2-4-6-10-16-26-22-15-14-19-12-8-9-13-20(19)24-22/h7-9,11-15,17H,2-6,10,16H2,1H3,(H2,23,25)
InChIKeyQBTOCXUVRQKTBQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.94
Rot. Bonds11

About 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide

3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide (PubChem CID 57001868) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide.

Molecular Properties

Compound Name3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide
PubChem CID57001868
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide
SMILESCC(C=CCCCCCCCOc1ccc2ccccc2n1)=CC(N)=O
InChIInChI=1S/C22H28N2O2/c1-18(17-21(23)25)11-7-5-3-2-4-6-10-16-26-22-15-14-19-12-8-9-13-20(19)24-22/h7-9,11-15,17H,2-6,10,16H2,1H3,(H2,23,25)
InChIKeyQBTOCXUVRQKTBQ-UHFFFAOYSA-N
XLogP4.94
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide?
The IUPAC name of 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide (CID 57001868) is 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide.
What is the SMILES notation for 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide?
The canonical SMILES for 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide is CC(C=CCCCCCCCOc1ccc2ccccc2n1)=CC(N)=O.
What is the InChIKey of 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide?
The InChIKey is QBTOCXUVRQKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18(17-21(23)25)11-7-5-3-2-4-6-10-16-26-22-15-14-19-12-8-9-13-20(19)24-22/h7-9,11-15,17H,2-6,10,16H2,1H3,(H2,23,25).
What are the key properties of 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide?
3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide has a molecular weight of 352.48 g/mol, XLogP of 4.94, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-12-quinolin-2-yloxydodeca-2,4-dienamide is sourced from PubChem (CID 57001868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).