[(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C15H14N2O5 — CID 135831841

IUPAC[(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@@H]1CCOC1=O
InChIInChI=1S/C15H14N2O5/c18-13(22-11-7-8-21-15(11)20)6-5-12-16-10-4-2-1-3-9(10)14(19)17-12/h1-4,11H,5-8H2,(H,16,17,19)/t11-/m1/s1
InChIKeyPKVTXFGQZCJPBD-LLVKDONJSA-N
MW302.29 g/mol
LogP0.71
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135831841) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135831841
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name[(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@@H]1CCOC1=O
InChIInChI=1S/C15H14N2O5/c18-13(22-11-7-8-21-15(11)20)6-5-12-16-10-4-2-1-3-9(10)14(19)17-12/h1-4,11H,5-8H2,(H,16,17,19)/t11-/m1/s1
InChIKeyPKVTXFGQZCJPBD-LLVKDONJSA-N
XLogP0.71
TPSA98.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711278
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135739396
1,3-benzodioxol-5-yl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809794
(2,6-dimethylphenyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809791
[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 136803505
oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300052
[2-(N-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135478532
(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135817002
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831927
[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831579
N-(2,3-dihydro-1H-inden-1-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135886882

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135831841) is [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@@H]1CCOC1=O.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is PKVTXFGQZCJPBD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-13(22-11-7-8-21-15(11)20)6-5-12-16-10-4-2-1-3-9(10)14(19)17-12/h1-4,11H,5-8H2,(H,16,17,19)/t11-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 302.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135831841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).