4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid

C21H28N4O3 — CID 69259081

IUPAC4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncnc3cc(OCCC4CCCCN4)ccc23)CC1
InChIInChI=1S/C21H28N4O3/c26-21(27)25-10-6-15(7-11-25)20-18-5-4-17(13-19(18)23-14-24-20)28-12-8-16-3-1-2-9-22-16/h4-5,13-16,22H,1-3,6-12H2,(H,26,27)
InChIKeyIETJKNWPSACYQX-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.40
Rot. Bonds5

About 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid

4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid (PubChem CID 69259081) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid
PubChem CID69259081
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ncnc3cc(OCCC4CCCCN4)ccc23)CC1
InChIInChI=1S/C21H28N4O3/c26-21(27)25-10-6-15(7-11-25)20-18-5-4-17(13-19(18)23-14-24-20)28-12-8-16-3-1-2-9-22-16/h4-5,13-16,22H,1-3,6-12H2,(H,26,27)
InChIKeyIETJKNWPSACYQX-UHFFFAOYSA-N
XLogP3.40
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid (CID 69259081) is 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2ncnc3cc(OCCC4CCCCN4)ccc23)CC1.
What is the InChIKey of 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid?
The InChIKey is IETJKNWPSACYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-21(27)25-10-6-15(7-11-25)20-18-5-4-17(13-19(18)23-14-24-20)28-12-8-16-3-1-2-9-22-16/h4-5,13-16,22H,1-3,6-12H2,(H,26,27).
What are the key properties of 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid?
4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid has a molecular weight of 384.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69259081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).