4-pyrrolidin-3-yl-3H-quinazolin-2-one

C12H13N3O — CID 105468545

IUPAC4-pyrrolidin-3-yl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(C2CCNC2)[nH]1
InChIInChI=1S/C12H13N3O/c16-12-14-10-4-2-1-3-9(10)11(15-12)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15,16)
InChIKeyUVENOCJKDGXWQK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.00
Rot. Bonds1

About 4-pyrrolidin-3-yl-3H-quinazolin-2-one

4-pyrrolidin-3-yl-3H-quinazolin-2-one (PubChem CID 105468545) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-3H-quinazolin-2-one
PubChem CID105468545
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-pyrrolidin-3-yl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(C2CCNC2)[nH]1
InChIInChI=1S/C12H13N3O/c16-12-14-10-4-2-1-3-9(10)11(15-12)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15,16)
InChIKeyUVENOCJKDGXWQK-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-pyrrolidin-3-yl-3H-quinazolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
The IUPAC name of 4-pyrrolidin-3-yl-3H-quinazolin-2-one (CID 105468545) is 4-pyrrolidin-3-yl-3H-quinazolin-2-one.
What is the SMILES notation for 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
The canonical SMILES for 4-pyrrolidin-3-yl-3H-quinazolin-2-one is O=c1nc2ccccc2c(C2CCNC2)[nH]1.
What is the InChIKey of 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
The InChIKey is UVENOCJKDGXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-14-10-4-2-1-3-9(10)11(15-12)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15,16).
What are the key properties of 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
4-pyrrolidin-3-yl-3H-quinazolin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-3H-quinazolin-2-one is sourced from PubChem (CID 105468545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).