2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid

C19H23F2N3O2 — CID 122062316

IUPAC2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(c2cc(C)nc3c(F)c(F)ccc23)CC1
InChIInChI=1S/C19H23F2N3O2/c1-3-23(11-17(25)26)13-6-8-24(9-7-13)16-10-12(2)22-19-14(16)4-5-15(20)18(19)21/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,25,26)
InChIKeyYLLAAMHEUMZIIE-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.20
Rot. Bonds5

About 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid

2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid (PubChem CID 122062316) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid
PubChem CID122062316
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(c2cc(C)nc3c(F)c(F)ccc23)CC1
InChIInChI=1S/C19H23F2N3O2/c1-3-23(11-17(25)26)13-6-8-24(9-7-13)16-10-12(2)22-19-14(16)4-5-15(20)18(19)21/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,25,26)
InChIKeyYLLAAMHEUMZIIE-UHFFFAOYSA-N
XLogP3.20
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid?
The IUPAC name of 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid (CID 122062316) is 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CCN(c2cc(C)nc3c(F)c(F)ccc23)CC1.
What is the InChIKey of 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid?
The InChIKey is YLLAAMHEUMZIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-3-23(11-17(25)26)13-6-8-24(9-7-13)16-10-12(2)22-19-14(16)4-5-15(20)18(19)21/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,25,26).
What are the key properties of 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid?
2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(7,8-difluoro-2-methylquinolin-4-yl)piperidin-4-yl]-ethylamino]acetic acid is sourced from PubChem (CID 122062316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).