1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid

C14H15N3O3 — CID 74552542

IUPAC1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2=NC(=O)C3C=CC=CC3=N2)CC1
InChIInChI=1S/C14H15N3O3/c18-12-10-3-1-2-4-11(10)15-14(16-12)17-7-5-9(6-8-17)13(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyHSRZIZSMQMIKDK-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.86
Rot. Bonds1

About 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid

1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid (PubChem CID 74552542) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid
PubChem CID74552542
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C2=NC(=O)C3C=CC=CC3=N2)CC1
InChIInChI=1S/C14H15N3O3/c18-12-10-3-1-2-4-11(10)15-14(16-12)17-7-5-9(6-8-17)13(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyHSRZIZSMQMIKDK-UHFFFAOYSA-N
XLogP0.86
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid (CID 74552542) is 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C2=NC(=O)C3C=CC=CC3=N2)CC1.
What is the InChIKey of 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is HSRZIZSMQMIKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-12-10-3-1-2-4-11(10)15-14(16-12)17-7-5-9(6-8-17)13(19)20/h1-4,9-10H,5-8H2,(H,19,20).
What are the key properties of 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid?
1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-4aH-quinazolin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 74552542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).