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

C12H11ClN2O2 — CID 66172326

IUPAC2-[(5-chloroquinolin-8-yl)amino]propanoic acid
SMILESCC(Nc1ccc(Cl)c2cccnc12)C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-7(12(16)17)15-10-5-4-9(13)8-3-2-6-14-11(8)10/h2-7,15H,1H3,(H,16,17)
InChIKeyMMJPKSNJQSRXMY-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.77
Rot. Bonds3

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

2-[(5-chloroquinolin-8-yl)amino]propanoic acid (PubChem CID 66172326) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)amino]propanoic acid
PubChem CID66172326
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-[(5-chloroquinolin-8-yl)amino]propanoic acid
SMILESCC(Nc1ccc(Cl)c2cccnc12)C(=O)O
InChIInChI=1S/C12H11ClN2O2/c1-7(12(16)17)15-10-5-4-9(13)8-3-2-6-14-11(8)10/h2-7,15H,1H3,(H,16,17)
InChIKeyMMJPKSNJQSRXMY-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 54862255
N-butan-2-yl-2-[(5-chloroquinolin-8-yl)amino]acetamide
CID 116783982
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
CID 116785317
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]propanoic acid?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)amino]propanoic acid (CID 66172326) is 2-[(5-chloroquinolin-8-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)amino]propanoic acid is CC(Nc1ccc(Cl)c2cccnc12)C(=O)O.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)amino]propanoic acid?
The InChIKey is MMJPKSNJQSRXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7(12(16)17)15-10-5-4-9(13)8-3-2-6-14-11(8)10/h2-7,15H,1H3,(H,16,17).
What are the key properties of 2-[(5-chloroquinolin-8-yl)amino]propanoic acid?
2-[(5-chloroquinolin-8-yl)amino]propanoic acid has a molecular weight of 250.69 g/mol, XLogP of 2.77, 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]propanoic acid is sourced from PubChem (CID 66172326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).