2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide

C22H23N3O2 — CID 113170068

IUPAC2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CC(=O)Nc1cccc2cccnc12)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H23N3O2/c1-14-11-15(2)22(16(3)12-14)25(17(4)26)13-20(27)24-19-9-5-7-18-8-6-10-23-21(18)19/h5-12H,13H2,1-4H3,(H,24,27)
InChIKeyDSVZHMDLOVYTCS-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.15
Rot. Bonds4

About 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide

2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide (PubChem CID 113170068) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
PubChem CID113170068
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
SMILESCC(=O)N(CC(=O)Nc1cccc2cccnc12)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H23N3O2/c1-14-11-15(2)22(16(3)12-14)25(17(4)26)13-20(27)24-19-9-5-7-18-8-6-10-23-21(18)19/h5-12H,13H2,1-4H3,(H,24,27)
InChIKeyDSVZHMDLOVYTCS-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,5-dimethylanilino)-N-quinolin-8-ylpropanamide
CID 113124439
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
CID 113180385
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylacetamide
CID 113173997
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-quinolin-8-ylacetamide
CID 113160554
3-[N-acetyl-4-(dimethylamino)anilino]-N-quinolin-8-ylpropanamide
CID 113131810
3-(N-acetyl-3-fluoroanilino)-N-quinolin-8-ylpropanamide
CID 113132499
3-(3-acetamido-N-acetylanilino)-N-quinolin-8-ylpropanamide
CID 113131055
2-(N-acetyl-2,6-dimethylanilino)-N-(2-methylphenyl)acetamide
CID 113168713
2-(3-methylphenyl)-N-quinolin-8-ylacetamide
CID 113098821
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide (CID 113170068) is 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide is CC(=O)N(CC(=O)Nc1cccc2cccnc12)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide?
The InChIKey is DSVZHMDLOVYTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-11-15(2)22(16(3)12-14)25(17(4)26)13-20(27)24-19-9-5-7-18-8-6-10-23-21(18)19/h5-12H,13H2,1-4H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide?
2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide has a molecular weight of 361.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113170068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).