2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one

C12H12ClN3O2 — CID 117264246

IUPAC2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one
SMILESO=c1c2ccc(O)cc2nc(Cl)n1C1CCNC1
InChIInChI=1S/C12H12ClN3O2/c13-12-15-10-5-8(17)1-2-9(10)11(18)16(12)7-3-4-14-6-7/h1-2,5,7,14,17H,3-4,6H2
InChIKeyBGYOSSIFBVIYHU-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.29
Rot. Bonds1

About 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one

2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one (PubChem CID 117264246) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one.

Molecular Properties

Compound Name2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one
PubChem CID117264246
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one
SMILESO=c1c2ccc(O)cc2nc(Cl)n1C1CCNC1
InChIInChI=1S/C12H12ClN3O2/c13-12-15-10-5-8(17)1-2-9(10)11(18)16(12)7-3-4-14-6-7/h1-2,5,7,14,17H,3-4,6H2
InChIKeyBGYOSSIFBVIYHU-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117264327
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
6-hydroxy-2-methyl-3-piperidin-3-ylquinazolin-4-one
CID 141376183
7-hydroxy-3-piperidin-3-yl-1H-quinazoline-2,4-dione
CID 117262827
2-chloro-1-cyclopropylbenzimidazol-5-ol
CID 83834342
2-chloro-1-cyclobutylbenzimidazol-5-ol
CID 84788817
2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
CID 117264206
3,4-dichlorophenol;1-pyrrolidin-3-ylpyrrolidin-2-one
CID 163241157
6-chloro-3-pyrrolidin-3-yl-1H-quinazoline-2,4-dione
CID 117261221
7-hydroxy-1-methyl-3-piperidin-4-ylquinazoline-2,4-dione;hydrobromide
CID 22923480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one?
The IUPAC name of 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one (CID 117264246) is 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one.
What is the SMILES notation for 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one?
The canonical SMILES for 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one is O=c1c2ccc(O)cc2nc(Cl)n1C1CCNC1.
What is the InChIKey of 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one?
The InChIKey is BGYOSSIFBVIYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c13-12-15-10-5-8(17)1-2-9(10)11(18)16(12)7-3-4-14-6-7/h1-2,5,7,14,17H,3-4,6H2.
What are the key properties of 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one?
2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one has a molecular weight of 265.70 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one is sourced from PubChem (CID 117264246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).