N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide

C17H13Cl2N3O — CID 109010978

IUPACN-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
SMILESO=C(CNc1cccc2cccnc12)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O/c18-12-6-7-13(19)15(9-12)22-16(23)10-21-14-5-1-3-11-4-2-8-20-17(11)14/h1-9,21H,10H2,(H,22,23)
InChIKeyOJVOGJJBHRRPHS-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.59
Rot. Bonds4

About N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide

N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide (PubChem CID 109010978) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
PubChem CID109010978
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide
SMILESO=C(CNc1cccc2cccnc12)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H13Cl2N3O/c18-12-6-7-13(19)15(9-12)22-16(23)10-21-14-5-1-3-11-4-2-8-20-17(11)14/h1-9,21H,10H2,(H,22,23)
InChIKeyOJVOGJJBHRRPHS-UHFFFAOYSA-N
XLogP4.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dichloroanilino)-N-quinolin-8-ylpropanamide
CID 109042389
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
N-(2-bromophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010779
2-(4-chloro-2,5-dimethoxyanilino)-N-quinolin-8-ylacetamide
CID 109011007
N-(3-chloro-4-methoxyphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008849
2-(2,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 2180532
2-(2,5-dimethylanilino)-N-quinolin-8-ylacetamide
CID 109007395
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-(4-tert-butylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008347
2-(3,4-dichlorophenoxy)-N-quinolin-8-ylacetamide
CID 37001376
N-(3-cyanophenyl)-2-(quinolin-8-ylamino)acetamide
CID 109010987
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide (CID 109010978) is N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide is O=C(CNc1cccc2cccnc12)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide?
The InChIKey is OJVOGJJBHRRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-12-6-7-13(19)15(9-12)22-16(23)10-21-14-5-1-3-11-4-2-8-20-17(11)14/h1-9,21H,10H2,(H,22,23).
What are the key properties of N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide?
N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide has a molecular weight of 346.22 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(quinolin-8-ylamino)acetamide is sourced from PubChem (CID 109010978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).