2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide

C19H16ClN3O2 — CID 113171635

IUPAC2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CC(=O)Nc1cccc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-13(24)23(16-9-7-15(20)8-10-16)12-18(25)22-17-6-2-4-14-5-3-11-21-19(14)17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyOYLJWXALFBGWKO-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.88
Rot. Bonds4

About 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide

2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide (PubChem CID 113171635) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
PubChem CID113171635
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CC(=O)Nc1cccc2cccnc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3O2/c1-13(24)23(16-9-7-15(20)8-10-16)12-18(25)22-17-6-2-4-14-5-3-11-21-19(14)17/h2-11H,12H2,1H3,(H,22,25)
InChIKeyOYLJWXALFBGWKO-UHFFFAOYSA-N
XLogP3.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
CID 113180385
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554
2-(N-acetyl-4-chloroanilino)-N-(2-cyanophenyl)acetamide
CID 113171651
2-(N-acetyl-4-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113171587
2-(N-acetyl-4-chloroanilino)-N-(3-chlorophenyl)acetamide
CID 113171584
2-(4-methyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113153811
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide (CID 113171635) is 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide is CC(=O)N(CC(=O)Nc1cccc2cccnc12)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide?
The InChIKey is OYLJWXALFBGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-13(24)23(16-9-7-15(20)8-10-16)12-18(25)22-17-6-2-4-14-5-3-11-21-19(14)17/h2-11H,12H2,1H3,(H,22,25).
What are the key properties of 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide?
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide has a molecular weight of 353.81 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113171635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).