1-quinazolin-4-ylpyrrolidine-2-carboxylic acid

C13H13N3O2 — CID 2792419

IUPAC1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C13H13N3O2/c17-13(18)11-6-3-7-16(11)12-9-4-1-2-5-10(9)14-8-15-12/h1-2,4-5,8,11H,3,6-7H2,(H,17,18)
InChIKeyGFUFVXIKRWWWKO-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.68
Rot. Bonds2

About 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid

1-quinazolin-4-ylpyrrolidine-2-carboxylic acid (PubChem CID 2792419) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
PubChem CID2792419
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-quinazolin-4-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C13H13N3O2/c17-13(18)11-6-3-7-16(11)12-9-4-1-2-5-10(9)14-8-15-12/h1-2,4-5,8,11H,3,6-7H2,(H,17,18)
InChIKeyGFUFVXIKRWWWKO-UHFFFAOYSA-N
XLogP1.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid (CID 2792419) is 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ncnc2ccccc12.
What is the InChIKey of 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid?
The InChIKey is GFUFVXIKRWWWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)11-6-3-7-16(11)12-9-4-1-2-5-10(9)14-8-15-12/h1-2,4-5,8,11H,3,6-7H2,(H,17,18).
What are the key properties of 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid?
1-quinazolin-4-ylpyrrolidine-2-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-4-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2792419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).