[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

C17H17N3O5 — CID 135516218

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C17H17N3O5/c21-14-6-3-9-20(14)15(22)10-25-16(23)8-7-13-18-12-5-2-1-4-11(12)17(24)19-13/h1-2,4-5H,3,6-10H2,(H,18,19,24)
InChIKeyDECDUOYNSVAWHZ-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.55
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 135516218) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID135516218
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)N1CCCC1=O
InChIInChI=1S/C17H17N3O5/c21-14-6-3-9-20(14)15(22)10-25-16(23)8-7-13-18-12-5-2-1-4-11(12)17(24)19-13/h1-2,4-5H,3,6-10H2,(H,18,19,24)
InChIKeyDECDUOYNSVAWHZ-UHFFFAOYSA-N
XLogP0.55
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831927
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 137306620
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135452342
[2-(4-chlorophenyl)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135445852
[2-(N-methylanilino)-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135478532
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135569648
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831915
1,3-benzothiazol-2-ylmethyl 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135545643
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135797631

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 135516218) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is DECDUOYNSVAWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c21-14-6-3-9-20(14)15(22)10-25-16(23)8-7-13-18-12-5-2-1-4-11(12)17(24)19-13/h1-2,4-5H,3,6-10H2,(H,18,19,24).
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 343.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 135516218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).