3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione

C18H14N4O3S — CID 43832746

IUPAC3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESNn1c(SC2CC(=O)N(c3ccccc3)C2=O)nc2ccccc2c1=O
InChIInChI=1S/C18H14N4O3S/c19-22-16(24)12-8-4-5-9-13(12)20-18(22)26-14-10-15(23)21(17(14)25)11-6-2-1-3-7-11/h1-9,14H,10,19H2
InChIKeyCIEATEFQSHFURA-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.53
Rot. Bonds3

About 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione

3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 43832746) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
PubChem CID43832746
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
SMILESNn1c(SC2CC(=O)N(c3ccccc3)C2=O)nc2ccccc2c1=O
InChIInChI=1S/C18H14N4O3S/c19-22-16(24)12-8-4-5-9-13(12)20-18(22)26-14-10-15(23)21(17(14)25)11-6-2-1-3-7-11/h1-9,14H,10,19H2
InChIKeyCIEATEFQSHFURA-UHFFFAOYSA-N
XLogP1.53
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 43832795
(3R)-1-(4-methoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 1332861
(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 2059029
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585
1-(1H-indol-6-yl)-3-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpyrrolidine-2,5-dione
CID 19058109
1-(4-phenoxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpyrrolidine-2,5-dione
CID 2936672
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropanoic acid
CID 2732736
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-6-phenylpyridine-3-carbonitrile
CID 6737903

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione (CID 43832746) is 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione is Nn1c(SC2CC(=O)N(c3ccccc3)C2=O)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is CIEATEFQSHFURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c19-22-16(24)12-8-4-5-9-13(12)20-18(22)26-14-10-15(23)21(17(14)25)11-6-2-1-3-7-11/h1-9,14H,10,19H2.
What are the key properties of 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione?
3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 366.40 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 43832746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).