3-pyrrolidin-2-ylquinazolin-4-one

C12H13N3O — CID 117263616

IUPAC3-pyrrolidin-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCCN1
InChIInChI=1S/C12H13N3O/c16-12-9-4-1-2-5-10(9)14-8-15(12)11-6-3-7-13-11/h1-2,4-5,8,11,13H,3,6-7H2
InChIKeyVWKQRESHQUEEQL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.28
Rot. Bonds1

About 3-pyrrolidin-2-ylquinazolin-4-one

3-pyrrolidin-2-ylquinazolin-4-one (PubChem CID 117263616) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-pyrrolidin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-pyrrolidin-2-ylquinazolin-4-one
PubChem CID117263616
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-pyrrolidin-2-ylquinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCCN1
InChIInChI=1S/C12H13N3O/c16-12-9-4-1-2-5-10(9)14-8-15(12)11-6-3-7-13-11/h1-2,4-5,8,11,13H,3,6-7H2
InChIKeyVWKQRESHQUEEQL-UHFFFAOYSA-N
XLogP1.28
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-ylquinazolin-4-one?
The IUPAC name of 3-pyrrolidin-2-ylquinazolin-4-one (CID 117263616) is 3-pyrrolidin-2-ylquinazolin-4-one.
What is the SMILES notation for 3-pyrrolidin-2-ylquinazolin-4-one?
The canonical SMILES for 3-pyrrolidin-2-ylquinazolin-4-one is O=c1c2ccccc2ncn1C1CCCN1.
What is the InChIKey of 3-pyrrolidin-2-ylquinazolin-4-one?
The InChIKey is VWKQRESHQUEEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-9-4-1-2-5-10(9)14-8-15(12)11-6-3-7-13-11/h1-2,4-5,8,11,13H,3,6-7H2.
What are the key properties of 3-pyrrolidin-2-ylquinazolin-4-one?
3-pyrrolidin-2-ylquinazolin-4-one has a molecular weight of 215.26 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-ylquinazolin-4-one is sourced from PubChem (CID 117263616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).