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

C21H19N3O4 — CID 137306620

IUPAC[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N3O4/c25-19-6-3-13-24(19)14-7-9-15(10-8-14)28-20(26)12-11-18-22-17-5-2-1-4-16(17)21(27)23-18/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,23,27)
InChIKeyVNLDMTPHTADDRU-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.59
Rot. Bonds5

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

[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (PubChem CID 137306620) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.

Molecular Properties

Compound Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
PubChem CID137306620
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)Oc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N3O4/c25-19-6-3-13-24(19)14-7-9-15(10-8-14)28-20(26)12-11-18-22-17-5-2-1-4-16(17)21(27)23-18/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,23,27)
InChIKeyVNLDMTPHTADDRU-UHFFFAOYSA-N
XLogP2.59
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135516218
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
N-ethyl-4-(2-oxopyrrolidin-1-yl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135821098
N-ethyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821274
[4-[(2-chlorobenzoyl)amino]phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 137299587
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
(2-oxo-2-piperidin-1-ylethyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135464919
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(2-oxo-3-propylbenzimidazol-1-yl)propanoate
CID 27283261
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831927
3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 135881413

Frequently Asked Questions

What is the IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The IUPAC name of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate (CID 137306620) is [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate.
What is the SMILES notation for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The canonical SMILES for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is O=C(CCc1nc2ccccc2c(=O)[nH]1)Oc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
The InChIKey is VNLDMTPHTADDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19-6-3-13-24(19)14-7-9-15(10-8-14)28-20(26)12-11-18-22-17-5-2-1-4-16(17)21(27)23-18/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,23,27).
What are the key properties of [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate?
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate has a molecular weight of 377.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate is sourced from PubChem (CID 137306620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).