[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate

C14H12N2O5 — CID 40624414

IUPAC[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)O[C@H]1CCOC1=O
InChIInChI=1S/C14H12N2O5/c17-12(21-11-5-6-20-14(11)19)7-16-8-15-10-4-2-1-3-9(10)13(16)18/h1-4,8,11H,5-7H2/t11-/m0/s1
InChIKeyXYVDFVOZCJDEMP-NSHDSACASA-N
MW288.26 g/mol
LogP0.26
Rot. Bonds3

About [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate

[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 40624414) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID40624414
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)O[C@H]1CCOC1=O
InChIInChI=1S/C14H12N2O5/c17-12(21-11-5-6-20-14(11)19)7-16-8-15-10-4-2-1-3-9(10)13(16)18/h1-4,8,11H,5-7H2/t11-/m0/s1
InChIKeyXYVDFVOZCJDEMP-NSHDSACASA-N
XLogP0.26
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate (CID 40624414) is [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate is O=C(Cn1cnc2ccccc2c1=O)O[C@H]1CCOC1=O.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is XYVDFVOZCJDEMP-NSHDSACASA-N. The full InChI is InChI=1S/C14H12N2O5/c17-12(21-11-5-6-20-14(11)19)7-16-8-15-10-4-2-1-3-9(10)13(16)18/h1-4,8,11H,5-7H2/t11-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate?
[(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 288.26 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 40624414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).