2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one

C12H12ClN3O2 — CID 117263627

IUPAC2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one
SMILESO=c1c2c(O)cccc2nc(Cl)n1C1CCCN1
InChIInChI=1S/C12H12ClN3O2/c13-12-15-7-3-1-4-8(17)10(7)11(18)16(12)9-5-2-6-14-9/h1,3-4,9,14,17H,2,5-6H2
InChIKeyQDEHYRPYNXWHPF-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.64
Rot. Bonds1

About 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one

2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one (PubChem CID 117263627) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one
PubChem CID117263627
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one
SMILESO=c1c2c(O)cccc2nc(Cl)n1C1CCCN1
InChIInChI=1S/C12H12ClN3O2/c13-12-15-7-3-1-4-8(17)10(7)11(18)16(12)9-5-2-6-14-9/h1,3-4,9,14,17H,2,5-6H2
InChIKeyQDEHYRPYNXWHPF-UHFFFAOYSA-N
XLogP1.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one?
The IUPAC name of 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one (CID 117263627) is 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one.
What is the SMILES notation for 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one?
The canonical SMILES for 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one is O=c1c2c(O)cccc2nc(Cl)n1C1CCCN1.
What is the InChIKey of 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one?
The InChIKey is QDEHYRPYNXWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-12-15-7-3-1-4-8(17)10(7)11(18)16(12)9-5-2-6-14-9/h1,3-4,9,14,17H,2,5-6H2.
What are the key properties of 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one?
2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one has a molecular weight of 265.70 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-3-pyrrolidin-2-ylquinazolin-4-one is sourced from PubChem (CID 117263627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).