2-[(5-chloroquinolin-8-yl)amino]acetic acid

C11H9ClN2O2 — CID 116783965

IUPAC2-[(5-chloroquinolin-8-yl)amino]acetic acid
SMILESO=C(O)CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H9ClN2O2/c12-8-3-4-9(14-6-10(15)16)11-7(8)2-1-5-13-11/h1-5,14H,6H2,(H,15,16)
InChIKeyWZGNXWXOMGNDNA-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.38
Rot. Bonds3

About 2-[(5-chloroquinolin-8-yl)amino]acetic acid

2-[(5-chloroquinolin-8-yl)amino]acetic acid (PubChem CID 116783965) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)amino]acetic acid
PubChem CID116783965
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name2-[(5-chloroquinolin-8-yl)amino]acetic acid
SMILESO=C(O)CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C11H9ClN2O2/c12-8-3-4-9(14-6-10(15)16)11-7(8)2-1-5-13-11/h1-5,14H,6H2,(H,15,16)
InChIKeyWZGNXWXOMGNDNA-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
CID 116783955
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
butyl 2-[(5-chloroquinolin-8-yl)amino]acetate
CID 116783881
2-[(5-chloroquinolin-8-yl)amino]-1-morpholin-4-ylethanone
CID 116783960
5-[[(5-chloroquinolin-8-yl)amino]methyl]furan-3-carboxylic acid
CID 104608662
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
3-[[(5-chloroquinolin-8-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103267146
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]acetic acid?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]acetic acid (CID 116783965) is 2-[(5-chloroquinolin-8-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)amino]acetic acid is O=C(O)CNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)amino]acetic acid?
The InChIKey is WZGNXWXOMGNDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-8-3-4-9(14-6-10(15)16)11-7(8)2-1-5-13-11/h1-5,14H,6H2,(H,15,16).
What are the key properties of 2-[(5-chloroquinolin-8-yl)amino]acetic acid?
2-[(5-chloroquinolin-8-yl)amino]acetic acid has a molecular weight of 236.66 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)amino]acetic acid is sourced from PubChem (CID 116783965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).