2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide

C19H19N3O2 — CID 109009200

IUPAC2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H19N3O2/c1-2-24-16-10-8-15(9-11-16)21-13-18(23)22-17-7-3-5-14-6-4-12-20-19(14)17/h3-12,21H,2,13H2,1H3,(H,22,23)
InChIKeyCXJSZIKENXRWFD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.68
Rot. Bonds6

About 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide

2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide (PubChem CID 109009200) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
PubChem CID109009200
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide
SMILESCCOc1ccc(NCC(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C19H19N3O2/c1-2-24-16-10-8-15(9-11-16)21-13-18(23)22-17-7-3-5-14-6-4-12-20-19(14)17/h3-12,21H,2,13H2,1H3,(H,22,23)
InChIKeyCXJSZIKENXRWFD-UHFFFAOYSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
CID 109010517
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
2-(4-ethoxyanilino)-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide
CID 78792958
(E)-3-(4-ethoxyphenyl)-N-quinolin-8-ylprop-2-enamide
CID 26123412
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112850661
2,2-dimethyl-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]propanamide
CID 17424107
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
ethyl 2-oxo-2-(quinolin-8-ylamino)acetate
CID 10421911

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide (CID 109009200) is 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide is CCOc1ccc(NCC(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide?
The InChIKey is CXJSZIKENXRWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-24-16-10-8-15(9-11-16)21-13-18(23)22-17-7-3-5-14-6-4-12-20-19(14)17/h3-12,21H,2,13H2,1H3,(H,22,23).
What are the key properties of 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide?
2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide has a molecular weight of 321.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 109009200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).