1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid

C14H15N3O3 — CID 57407163

IUPAC1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc3cc(O)ccc3n2)CC1
InChIInChI=1S/C14H15N3O3/c18-11-1-2-12-10(7-11)8-15-14(16-12)17-5-3-9(4-6-17)13(19)20/h1-2,7-9,18H,3-6H2,(H,19,20)
InChIKeyZCQOQVDTDBRQIZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.64
Rot. Bonds2

About 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid

1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid (PubChem CID 57407163) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
PubChem CID57407163
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ncc3cc(O)ccc3n2)CC1
InChIInChI=1S/C14H15N3O3/c18-11-1-2-12-10(7-11)8-15-14(16-12)17-5-3-9(4-6-17)13(19)20/h1-2,7-9,18H,3-6H2,(H,19,20)
InChIKeyZCQOQVDTDBRQIZ-UHFFFAOYSA-N
XLogP1.64
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid (CID 57407163) is 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ncc3cc(O)ccc3n2)CC1.
What is the InChIKey of 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is ZCQOQVDTDBRQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-11-1-2-12-10(7-11)8-15-14(16-12)17-5-3-9(4-6-17)13(19)20/h1-2,7-9,18H,3-6H2,(H,19,20).
What are the key properties of 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid?
1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxyquinazolin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 57407163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).