2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide

C19H18ClN3O3 — CID 109011007

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
SMILESCOc1cc(NCC(=O)Nc2cccc3cccnc23)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-25-16-10-15(17(26-2)9-13(16)20)22-11-18(24)23-14-7-3-5-12-6-4-8-21-19(12)14/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyYJOFQOUBRAJBAZ-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.96
Rot. Bonds6

About 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide

2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide (PubChem CID 109011007) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
PubChem CID109011007
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
SMILESCOc1cc(NCC(=O)Nc2cccc3cccnc23)c(OC)cc1Cl
InChIInChI=1S/C19H18ClN3O3/c1-25-16-10-15(17(26-2)9-13(16)20)22-11-18(24)23-14-7-3-5-12-6-4-8-21-19(12)14/h3-10,22H,11H2,1-2H3,(H,23,24)
InChIKeyYJOFQOUBRAJBAZ-UHFFFAOYSA-N
XLogP3.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978
N-quinolin-8-yl-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108956737
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
CID 113180385
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
2-(2,4-dimethoxy-3-methylphenyl)-N-quinolin-8-ylacetamide
CID 110769870
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide (CID 109011007) is 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide is COc1cc(NCC(=O)Nc2cccc3cccnc23)c(OC)cc1Cl.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide?
The InChIKey is YJOFQOUBRAJBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-25-16-10-15(17(26-2)9-13(16)20)22-11-18(24)23-14-7-3-5-12-6-4-8-21-19(12)14/h3-10,22H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide has a molecular weight of 371.82 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 109011007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).