[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C25H20N2O4 — CID 135831579

IUPAC[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O4/c28-22(16-15-21-26-20-14-8-7-13-19(20)25(30)27-21)31-24(18-11-5-2-6-12-18)23(29)17-9-3-1-4-10-17/h1-14,24H,15-16H2,(H,26,27,30)/t24-/m0/s1
InChIKeyRFJKHFIWLUAEGA-DEOSSOPVSA-N
MW412.44 g/mol
LogP4.02
Rot. Bonds7

About [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135831579) has the molecular formula C25H20N2O4 and a molecular weight of 412.44 g/mol. Its IUPAC name is [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135831579
Molecular FormulaC25H20N2O4
Molecular Weight412.44 g/mol
Exact Mass412.14
IUPAC Name[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20N2O4/c28-22(16-15-21-26-20-14-8-7-13-19(20)25(30)27-21)31-24(18-11-5-2-6-12-18)23(29)17-9-3-1-4-10-17/h1-14,24H,15-16H2,(H,26,27,30)/t24-/m0/s1
InChIKeyRFJKHFIWLUAEGA-DEOSSOPVSA-N
XLogP4.02
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831778
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831944
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831638
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
1,3-benzothiazol-2-ylmethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135545643
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135816991
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135797631
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135568694
(2,6-dimethylphenyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809791
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831692
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831597
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831596

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135831579) is [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)O[C@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is RFJKHFIWLUAEGA-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H20N2O4/c28-22(16-15-21-26-20-14-8-7-13-19(20)25(30)27-21)31-24(18-11-5-2-6-12-18)23(29)17-9-3-1-4-10-17/h1-14,24H,15-16H2,(H,26,27,30)/t24-/m0/s1.
What are the key properties of [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 412.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1,2-diphenylethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135831579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).