6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

C18H17N3O6S — CID 97261482

IUPAC6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=C(C[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccco1
InChIInChI=1S/C18H17N3O6S/c22-15(16-4-2-8-27-16)9-11-3-1-7-21(11)28(25,26)12-5-6-14-13(10-12)17(23)20-18(24)19-14/h2,4-6,8,10-11H,1,3,7,9H2,(H2,19,20,23,24)/t11-/m1/s1
InChIKeyVKJKETVYLURKIE-LLVKDONJSA-N
MW403.42 g/mol
LogP1.24
Rot. Bonds5

About 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 97261482) has the molecular formula C18H17N3O6S and a molecular weight of 403.42 g/mol. Its IUPAC name is 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID97261482
Molecular FormulaC18H17N3O6S
Molecular Weight403.42 g/mol
Exact Mass403.08
IUPAC Name6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=C(C[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccco1
InChIInChI=1S/C18H17N3O6S/c22-15(16-4-2-8-27-16)9-11-3-1-7-21(11)28(25,26)12-5-6-14-13(10-12)17(23)20-18(24)19-14/h2,4-6,8,10-11H,1,3,7,9H2,(H2,19,20,23,24)/t11-/m1/s1
InChIKeyVKJKETVYLURKIE-LLVKDONJSA-N
XLogP1.24
TPSA133.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

6-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124964528
6-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 51589278
4-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 97261479
5-(2-ethylpyrrolidin-1-yl)sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110604707
5-[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110411418
6-[(3-oxo-2-propan-2-yl-1,4-diazepan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
CID 167808652
6-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 20895736
6-(2-methylpiperazin-1-yl)sulfonyl-1H-quinazoline-2,4-dione
CID 119969859
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
1-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546629
2-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]acetic acid
CID 61371093
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 16836984

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 97261482) is 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is O=C(C[C@H]1CCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1)c1ccco1.
What is the InChIKey of 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is VKJKETVYLURKIE-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N3O6S/c22-15(16-4-2-8-27-16)9-11-3-1-7-21(11)28(25,26)12-5-6-14-13(10-12)17(23)20-18(24)19-14/h2,4-6,8,10-11H,1,3,7,9H2,(H2,19,20,23,24)/t11-/m1/s1.
What are the key properties of 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 403.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 97261482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).