2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide

C21H20ClN3O3 — CID 113180385

IUPAC2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1cccc2cccnc12)C(C)=O
InChIInChI=1S/C21H20ClN3O3/c1-13-10-18(19(28-3)11-16(13)22)25(14(2)26)12-20(27)24-17-8-4-6-15-7-5-9-23-21(15)17/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyDXQZEWNPDRIHRW-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.20
Rot. Bonds5

About 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide

2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide (PubChem CID 113180385) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
PubChem CID113180385
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
SMILESCOc1cc(Cl)c(C)cc1N(CC(=O)Nc1cccc2cccnc12)C(C)=O
InChIInChI=1S/C21H20ClN3O3/c1-13-10-18(19(28-3)11-16(13)22)25(14(2)26)12-20(27)24-17-8-4-6-15-7-5-9-23-21(15)17/h4-11H,12H2,1-3H3,(H,24,27)
InChIKeyDXQZEWNPDRIHRW-UHFFFAOYSA-N
XLogP4.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-2,4,6-trimethylanilino)-N-quinolin-8-ylacetamide
CID 113170068
2-(N-acetyl-4-chloroanilino)-N-quinolin-8-ylacetamide
CID 113171635
2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
CID 109011007
2-(N-acetyl-3-chloro-2-methylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113171816
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)acetamide
CID 113180389
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-(N-acetyl-2-fluoroanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113170889
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113180325
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180373
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(4-cyanophenyl)acetamide
CID 113180390

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide (CID 113180385) is 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide is COc1cc(Cl)c(C)cc1N(CC(=O)Nc1cccc2cccnc12)C(C)=O.
What is the InChIKey of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide?
The InChIKey is DXQZEWNPDRIHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-10-18(19(28-3)11-16(13)22)25(14(2)26)12-20(27)24-17-8-4-6-15-7-5-9-23-21(15)17/h4-11H,12H2,1-3H3,(H,24,27).
What are the key properties of 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide?
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide has a molecular weight of 397.86 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 113180385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).