2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide

C18H23N3O2 — CID 113178698

IUPAC2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C18H23N3O2/c1-3-4-5-11-19-17(23)13-21(14(2)22)16-10-6-8-15-9-7-12-20-18(15)16/h6-10,12H,3-5,11,13H2,1-2H3,(H,19,23)
InChIKeyKLXLNQOCMODCEG-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.89
Rot. Bonds7

About 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide

2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide (PubChem CID 113178698) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide.

Molecular Properties

Compound Name2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
PubChem CID113178698
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C18H23N3O2/c1-3-4-5-11-19-17(23)13-21(14(2)22)16-10-6-8-15-9-7-12-20-18(15)16/h6-10,12H,3-5,11,13H2,1-2H3,(H,19,23)
InChIKeyKLXLNQOCMODCEG-UHFFFAOYSA-N
XLogP2.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113178673
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
N-[2-(butylsulfonylamino)ethyl]-N-quinolin-8-ylacetamide
CID 113063208
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742
methyl N-[2-[acetyl(quinolin-8-yl)amino]ethyl]carbamate
CID 113063198
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
CID 113178761
2-(N-acetyl-3-chloro-2-methylanilino)-N-butylacetamide
CID 113171663
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide?
The IUPAC name of 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide (CID 113178698) is 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide.
What is the SMILES notation for 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide?
The canonical SMILES for 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide is CCCCCNC(=O)CN(C(C)=O)c1cccc2cccnc12.
What is the InChIKey of 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide?
The InChIKey is KLXLNQOCMODCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-4-5-11-19-17(23)13-21(14(2)22)16-10-6-8-15-9-7-12-20-18(15)16/h6-10,12H,3-5,11,13H2,1-2H3,(H,19,23).
What are the key properties of 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide?
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide is sourced from PubChem (CID 113178698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).