2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid

C18H22N2O2 — CID 110434121

IUPAC2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid
SMILESCC1CC(C)CN(c2cc(CC(=O)O)nc3ccccc23)C1
InChIInChI=1S/C18H22N2O2/c1-12-7-13(2)11-20(10-12)17-8-14(9-18(21)22)19-16-6-4-3-5-15(16)17/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,21,22)
InChIKeyMWECDLKIRASSKN-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.34
Rot. Bonds3

About 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid

2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid (PubChem CID 110434121) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid
PubChem CID110434121
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid
SMILESCC1CC(C)CN(c2cc(CC(=O)O)nc3ccccc23)C1
InChIInChI=1S/C18H22N2O2/c1-12-7-13(2)11-20(10-12)17-8-14(9-18(21)22)19-16-6-4-3-5-15(16)17/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,21,22)
InChIKeyMWECDLKIRASSKN-UHFFFAOYSA-N
XLogP3.34
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid (CID 110434121) is 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid is CC1CC(C)CN(c2cc(CC(=O)O)nc3ccccc23)C1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid?
The InChIKey is MWECDLKIRASSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-7-13(2)11-20(10-12)17-8-14(9-18(21)22)19-16-6-4-3-5-15(16)17/h3-6,8,12-13H,7,9-11H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid?
2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid has a molecular weight of 298.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpiperidin-1-yl)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110434121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).