N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide

C13H14ClN3O — CID 110490287

IUPACN-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide
SMILESNCCNC(=O)Cc1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H14ClN3O/c14-10-3-1-9-2-4-11(17-12(9)7-10)8-13(18)16-6-5-15/h1-4,7H,5-6,8,15H2,(H,16,18)
InChIKeyYRVBQTYHHCEPOZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.51
Rot. Bonds4

About N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide

N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide (PubChem CID 110490287) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide
PubChem CID110490287
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide
SMILESNCCNC(=O)Cc1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C13H14ClN3O/c14-10-3-1-9-2-4-11(17-12(9)7-10)8-13(18)16-6-5-15/h1-4,7H,5-6,8,15H2,(H,16,18)
InChIKeyYRVBQTYHHCEPOZ-UHFFFAOYSA-N
XLogP1.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-quinolin-2-ylacetamide
CID 110464134
2-(6-aminoquinolin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 82547456
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
2-(6-aminoquinolin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 82547358
N-(2-hydroxyethyl)-2-(6-methylquinolin-2-yl)acetamide
CID 110490351
2-(6-aminoquinolin-2-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 110451337
2-(bromomethyl)-7-chloroquinoline
CID 10244160
2-(6-aminoquinolin-2-yl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 82547092
2-[[2-(6-aminoquinolin-2-yl)acetyl]amino]acetic acid
CID 82547405
3-hydroxy-2-[(2-quinolin-2-ylacetyl)amino]propanoic acid
CID 110464190
2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide
CID 110490467
N-(2-pyrazol-1-ylethyl)-2-quinolin-2-ylacetamide
CID 110473747

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide (CID 110490287) is N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide is NCCNC(=O)Cc1ccc2ccc(Cl)cc2n1.
What is the InChIKey of N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide?
The InChIKey is YRVBQTYHHCEPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-3-1-9-2-4-11(17-12(9)7-10)8-13(18)16-6-5-15/h1-4,7H,5-6,8,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide?
N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide has a molecular weight of 263.73 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(7-chloroquinolin-2-yl)acetamide is sourced from PubChem (CID 110490287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).