2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid

C13H12Cl2N2O3 — CID 65442005

IUPAC2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(N)C(=O)O)c2n1
InChIInChI=1S/C13H12Cl2N2O3/c1-6-2-3-7-8(14)4-9(15)12(11(7)17-6)20-5-10(16)13(18)19/h2-4,10H,5,16H2,1H3,(H,18,19)
InChIKeyLMFVTYQTKPCVRX-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.64
Rot. Bonds4

About 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid

2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid (PubChem CID 65442005) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid
PubChem CID65442005
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccc2c(Cl)cc(Cl)c(OCC(N)C(=O)O)c2n1
InChIInChI=1S/C13H12Cl2N2O3/c1-6-2-3-7-8(14)4-9(15)12(11(7)17-6)20-5-10(16)13(18)19/h2-4,10H,5,16H2,1H3,(H,18,19)
InChIKeyLMFVTYQTKPCVRX-UHFFFAOYSA-N
XLogP2.64
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
CID 62041878
6-(5,7-dichloro-2-methylquinolin-8-yl)oxyhexan-2-one
CID 62033445
4-[(5,7-dichloro-2-methylquinolin-8-yl)oxymethyl]benzamide
CID 27311006
methyl 2-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoate
CID 60626066
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 23878377
(2-anilino-2-oxoethyl) 2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetate
CID 2667497
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-2-phenylacetamide
CID 16568919
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]benzamide
CID 16569547
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-N-(ethylcarbamoyl)acetamide
CID 2628295
N-[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyethyl]propan-2-amine
CID 62598626
N-(cyclopropylmethyl)-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 30432553
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 47013845

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid?
The IUPAC name of 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid (CID 65442005) is 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid.
What is the SMILES notation for 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid?
The canonical SMILES for 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid is Cc1ccc2c(Cl)cc(Cl)c(OCC(N)C(=O)O)c2n1.
What is the InChIKey of 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid?
The InChIKey is LMFVTYQTKPCVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-6-2-3-7-8(14)4-9(15)12(11(7)17-6)20-5-10(16)13(18)19/h2-4,10H,5,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid?
2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid has a molecular weight of 315.16 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5,7-dichloro-2-methylquinolin-8-yl)oxypropanoic acid is sourced from PubChem (CID 65442005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).