2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide

C16H19N3O — CID 81167252

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
SMILESNCC1(CC(=O)Nc2cccc3cccnc23)CCC1
InChIInChI=1S/C16H19N3O/c17-11-16(7-3-8-16)10-14(20)19-13-6-1-4-12-5-2-9-18-15(12)13/h1-2,4-6,9H,3,7-8,10-11,17H2,(H,19,20)
InChIKeyZIRGCAYKOIGFKS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.69
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide

2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide (PubChem CID 81167252) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
PubChem CID81167252
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
SMILESNCC1(CC(=O)Nc2cccc3cccnc23)CCC1
InChIInChI=1S/C16H19N3O/c17-11-16(7-3-8-16)10-14(20)19-13-6-1-4-12-5-2-9-18-15(12)13/h1-2,4-6,9H,3,7-8,10-11,17H2,(H,19,20)
InChIKeyZIRGCAYKOIGFKS-UHFFFAOYSA-N
XLogP2.69
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 132572979
2-[1-(aminomethyl)cyclohexyl]-1-quinolin-8-ylethanone
CID 116614423
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
N-cyclopentyl-N'-quinolin-8-ylpropanediamide
CID 108942283
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 81168561
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
2-(3-methylazetidin-3-yl)oxy-N-quinolin-8-ylacetamide
CID 102611786
2-nitro-N-quinolin-8-ylacetamide
CID 108814489
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide (CID 81167252) is 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide is NCC1(CC(=O)Nc2cccc3cccnc23)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide?
The InChIKey is ZIRGCAYKOIGFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-11-16(7-3-8-16)10-14(20)19-13-6-1-4-12-5-2-9-18-15(12)13/h1-2,4-6,9H,3,7-8,10-11,17H2,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide?
2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide has a molecular weight of 269.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide is sourced from PubChem (CID 81167252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).