N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide

C18H16ClN3O2 — CID 109008849

IUPACN-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-24-16-8-7-13(10-14(16)19)22-17(23)11-21-15-6-2-4-12-5-3-9-20-18(12)15/h2-10,21H,11H2,1H3,(H,22,23)
InChIKeyCYUCEUBVFPSXGJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.95
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide (PubChem CID 109008849) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
PubChem CID109008849
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
SMILESCOc1ccc(NC(=O)CNc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-24-16-8-7-13(10-14(16)19)22-17(23)11-21-15-6-2-4-12-5-3-9-20-18(12)15/h2-10,21H,11H2,1H3,(H,22,23)
InChIKeyCYUCEUBVFPSXGJ-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
CID 109011007
N-(3,4-dimethoxyphenyl)-N'-quinolin-8-ylpropanediamide
CID 108956009
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
N-(3-chloro-4-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816552
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010978
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
2-(4-chloro-2,5-dimethoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 9106808
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide (CID 109008849) is N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide is COc1ccc(NC(=O)CNc2cccc3cccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide?
The InChIKey is CYUCEUBVFPSXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-16-8-7-13(10-14(16)19)22-17(23)11-21-15-6-2-4-12-5-3-9-20-18(12)15/h2-10,21H,11H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide is sourced from PubChem (CID 109008849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).