(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate

C24H18N2O4 — CID 24683836

IUPAC(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O4/c27-21(15-26-16-25-20-14-8-7-13-19(20)24(26)29)30-23(18-11-5-2-6-12-18)22(28)17-9-3-1-4-10-17/h1-14,16,23H,15H2
InChIKeyBDQFZZXSYSGGOB-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.56
Rot. Bonds6

About (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate

(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate (PubChem CID 24683836) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate
PubChem CID24683836
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate
SMILESO=C(Cn1cnc2ccccc2c1=O)OC(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H18N2O4/c27-21(15-26-16-25-20-14-8-7-13-19(20)24(26)29)30-23(18-11-5-2-6-12-18)22(28)17-9-3-1-4-10-17/h1-14,16,23H,15H2
InChIKeyBDQFZZXSYSGGOB-UHFFFAOYSA-N
XLogP3.56
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-1,2-diphenylethyl) 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46696831
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-(4-oxoquinazolin-3-yl)acetate
CID 78799129
[(2S)-1-anilino-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995099
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437008
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 25437012
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995397
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7994832
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995194
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
methyl 2,4-dimethyl-5-[2-[2-(4-oxoquinazolin-3-yl)acetyl]oxypropanoyl]-1H-pyrrole-3-carboxylate
CID 55321286
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(4-oxoquinazolin-3-yl)acetate
CID 7995179

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate (CID 24683836) is (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate is O=C(Cn1cnc2ccccc2c1=O)OC(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate?
The InChIKey is BDQFZZXSYSGGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O4/c27-21(15-26-16-25-20-14-8-7-13-19(20)24(26)29)30-23(18-11-5-2-6-12-18)22(28)17-9-3-1-4-10-17/h1-14,16,23H,15H2.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate?
(2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate has a molecular weight of 398.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-(4-oxoquinazolin-3-yl)acetate is sourced from PubChem (CID 24683836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).