3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

C17H17N5O4 — CID 121159971

IUPAC3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H17N5O4/c23-14-7-18-17(26)22(14)11-5-6-20(8-11)15(24)9-21-10-19-13-4-2-1-3-12(13)16(21)25/h1-4,10-11H,5-9H2,(H,18,26)
InChIKeyPQPRABBGMLMHJB-UHFFFAOYSA-N
MW355.35 g/mol
LogP-0.45
Rot. Bonds3

About 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159971) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159971
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C17H17N5O4/c23-14-7-18-17(26)22(14)11-5-6-20(8-11)15(24)9-21-10-19-13-4-2-1-3-12(13)16(21)25/h1-4,10-11H,5-9H2,(H,18,26)
InChIKeyPQPRABBGMLMHJB-UHFFFAOYSA-N
XLogP-0.45
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121021849
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-[(3S)-3-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 97150971
3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 100756593
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425
3-[2-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 119100380
3-[2-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]-2-oxoethyl]quinazolin-4-one
CID 110164483
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
CID 157013903
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
(3R,4R)-4-cyclopropyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979644

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159971) is 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(Cn1cnc2ccccc2c1=O)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is PQPRABBGMLMHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c23-14-7-18-17(26)22(14)11-5-6-20(8-11)15(24)9-21-10-19-13-4-2-1-3-12(13)16(21)25/h1-4,10-11H,5-9H2,(H,18,26).
What are the key properties of 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 355.35 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).