(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate

C19H16N2O5 — CID 166095721

IUPAC(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate
SMILESCOc1cc(NC(C)=O)cc(OOC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H16N2O5/c1-12(22)21-15-9-16(24-2)11-17(10-15)25-26-19(23)14-5-6-18-13(8-14)4-3-7-20-18/h3-11H,1-2H3,(H,21,22)
InChIKeyPJXZTSJXJWBWPQ-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.35
Rot. Bonds5

About (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate

(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate (PubChem CID 166095721) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate.

Molecular Properties

Compound Name(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate
PubChem CID166095721
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate
SMILESCOc1cc(NC(C)=O)cc(OOC(=O)c2ccc3ncccc3c2)c1
InChIInChI=1S/C19H16N2O5/c1-12(22)21-15-9-16(24-2)11-17(10-15)25-26-19(23)14-5-6-18-13(8-14)4-3-7-20-18/h3-11H,1-2H3,(H,21,22)
InChIKeyPJXZTSJXJWBWPQ-UHFFFAOYSA-N
XLogP3.35
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride
CID 90485217
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2,2-dimethoxy-1-quinolin-6-ylethanone
CID 81221029
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
CID 89311572
4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 46386365
methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
CID 2823273
ethane;quinoline-6-carboxylic acid
CID 91364452
methyl 5-(quinoline-6-carbonyl)furan-2-carboxylate
CID 106946573
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
methyl 3-[(2-quinolin-6-yloxyacetyl)amino]benzoate
CID 112978710

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate?
The IUPAC name of (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate (CID 166095721) is (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate.
What is the SMILES notation for (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate?
The canonical SMILES for (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate is COc1cc(NC(C)=O)cc(OOC(=O)c2ccc3ncccc3c2)c1.
What is the InChIKey of (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate?
The InChIKey is PJXZTSJXJWBWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-12(22)21-15-9-16(24-2)11-17(10-15)25-26-19(23)14-5-6-18-13(8-14)4-3-7-20-18/h3-11H,1-2H3,(H,21,22).
What are the key properties of (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate?
(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate has a molecular weight of 352.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate is sourced from PubChem (CID 166095721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).