[(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate

C19H24N4O3 — CID 15409131

IUPAC[(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@H]1Oc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C19H24N4O3/c1-13(24)25-16-7-4-8-17(16)26-18-14-5-2-3-6-15(14)21-19(22-18)23-11-9-20-10-12-23/h2-3,5-6,16-17,20H,4,7-12H2,1H3/t16-,17+/m0/s1
InChIKeyYTQPQHJQISJVSR-DLBZAZTESA-N
MW356.43 g/mol
LogP1.90
Rot. Bonds4

About [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate

[(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate (PubChem CID 15409131) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate
PubChem CID15409131
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate
SMILESCC(=O)O[C@H]1CCC[C@H]1Oc1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C19H24N4O3/c1-13(24)25-16-7-4-8-17(16)26-18-14-5-2-3-6-15(14)21-19(22-18)23-11-9-20-10-12-23/h2-3,5-6,16-17,20H,4,7-12H2,1H3/t16-,17+/m0/s1
InChIKeyYTQPQHJQISJVSR-DLBZAZTESA-N
XLogP1.90
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate 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 [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate?
The IUPAC name of [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate (CID 15409131) is [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate.
What is the SMILES notation for [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate?
The canonical SMILES for [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate is CC(=O)O[C@H]1CCC[C@H]1Oc1nc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate?
The InChIKey is YTQPQHJQISJVSR-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24N4O3/c1-13(24)25-16-7-4-8-17(16)26-18-14-5-2-3-6-15(14)21-19(22-18)23-11-9-20-10-12-23/h2-3,5-6,16-17,20H,4,7-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate?
[(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate has a molecular weight of 356.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(2-piperazin-1-ylquinazolin-4-yl)oxycyclopentyl] acetate is sourced from PubChem (CID 15409131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).