2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide

C16H18ClN3O — CID 81172078

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc(Cl)c3ncccc23)CCC1
InChIInChI=1S/C16H18ClN3O/c17-12-4-5-13(11-3-1-8-19-15(11)12)20-14(21)9-16(10-18)6-2-7-16/h1,3-5,8H,2,6-7,9-10,18H2,(H,20,21)
InChIKeyHFKKFZUMIWPKTA-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.35
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide (PubChem CID 81172078) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
PubChem CID81172078
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc(Cl)c3ncccc23)CCC1
InChIInChI=1S/C16H18ClN3O/c17-12-4-5-13(11-3-1-8-19-15(11)12)20-14(21)9-16(10-18)6-2-7-16/h1,3-5,8H,2,6-7,9-10,18H2,(H,20,21)
InChIKeyHFKKFZUMIWPKTA-UHFFFAOYSA-N
XLogP3.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 81167252
2-[1-(aminomethyl)cyclobutyl]-N-pyrimidin-2-ylacetamide
CID 81179251
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
N-(8-chloroquinolin-5-yl)-3-(ethylamino)propanamide
CID 55121574
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
CID 104677439
6-[(8-chloroquinolin-5-yl)amino]-6-oxohexanoic acid
CID 60941268
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
N-(8-chloroquinolin-5-yl)-3-(ethylamino)butanamide
CID 62837224
3-amino-N-(8-chloroquinolin-5-yl)-2-methoxypropanamide
CID 106111764
N-(8-chloroquinolin-5-yl)furan-2-carboxamide
CID 33316746
2-[1-(aminomethyl)cyclobutyl]-N-(2-methylsulfanylphenyl)acetamide
CID 81179881
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide (CID 81172078) is 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide is NCC1(CC(=O)Nc2ccc(Cl)c3ncccc23)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide?
The InChIKey is HFKKFZUMIWPKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-12-4-5-13(11-3-1-8-19-15(11)12)20-14(21)9-16(10-18)6-2-7-16/h1,3-5,8H,2,6-7,9-10,18H2,(H,20,21).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(8-chloroquinolin-5-yl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.35, 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-(8-chloroquinolin-5-yl)acetamide is sourced from PubChem (CID 81172078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).