6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

C17H16N4O5S — CID 129325738

IUPAC6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)ccc2[nH]1
InChIInChI=1S/C17H16N4O5S/c22-16-14-8-13(3-4-15(14)19-17(23)20-16)27(24,25)21-7-5-12(10-21)26-11-2-1-6-18-9-11/h1-4,6,8-9,12H,5,7,10H2,(H2,19,20,22,23)/t12-/m1/s1
InChIKeyBYGYSCFZIHYJLU-GFCCVEGCSA-N
MW388.41 g/mol
LogP0.45
Rot. Bonds4

About 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 129325738) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID129325738
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)ccc2[nH]1
InChIInChI=1S/C17H16N4O5S/c22-16-14-8-13(3-4-15(14)19-17(23)20-16)27(24,25)21-7-5-12(10-21)26-11-2-1-6-18-9-11/h1-4,6,8-9,12H,5,7,10H2,(H2,19,20,22,23)/t12-/m1/s1
InChIKeyBYGYSCFZIHYJLU-GFCCVEGCSA-N
XLogP0.45
TPSA125.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

7-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 128998759
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
1-[4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 75495313
3-ethyl-5-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 75507090
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 119987604
3-[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495330
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
5-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100754268
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 129325738) is 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(S(=O)(=O)N3CC[C@@H](Oc4cccnc4)C3)ccc2[nH]1.
What is the InChIKey of 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is BYGYSCFZIHYJLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16N4O5S/c22-16-14-8-13(3-4-15(14)19-17(23)20-16)27(24,25)21-7-5-12(10-21)26-11-2-1-6-18-9-11/h1-4,6,8-9,12H,5,7,10H2,(H2,19,20,22,23)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 388.41 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 129325738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).