1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid

C20H20N4O3 — CID 70724770

IUPAC1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid
SMILESCc1nccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)O)CC2)n1
InChIInChI=1S/C20H20N4O3/c1-14-21-10-6-18(23-14)24-11-7-20(8-12-24,19(25)26)27-16-4-5-17-15(13-16)3-2-9-22-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,25,26)
InChIKeyUQPZOGVGCLGHOF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.84
Rot. Bonds4

About 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid

1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid (PubChem CID 70724770) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid
PubChem CID70724770
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid
SMILESCc1nccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)O)CC2)n1
InChIInChI=1S/C20H20N4O3/c1-14-21-10-6-18(23-14)24-11-7-20(8-12-24,19(25)26)27-16-4-5-17-15(13-16)3-2-9-22-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,25,26)
InChIKeyUQPZOGVGCLGHOF-UHFFFAOYSA-N
XLogP2.84
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid (CID 70724770) is 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid is Cc1nccc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)O)CC2)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
The InChIKey is UQPZOGVGCLGHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-21-10-6-18(23-14)24-11-7-20(8-12-24,19(25)26)27-16-4-5-17-15(13-16)3-2-9-22-17/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,25,26).
What are the key properties of 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid?
1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid has a molecular weight of 364.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-4-quinolin-6-yloxypiperidine-4-carboxylic acid is sourced from PubChem (CID 70724770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).