4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

C24H23N3O3S — CID 54483309

IUPAC4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(OC[C@@H]3CCCN3c3ccc4ccccc4n3)cc2)s1
InChIInChI=1S/C24H23N3O3S/c28-23-21(31-24(29)26-23)14-16-7-10-19(11-8-16)30-15-18-5-3-13-27(18)22-12-9-17-4-1-2-6-20(17)25-22/h1-2,4,6-12,18,28H,3,5,13-15H2,(H,26,29)/t18-/m0/s1
InChIKeyXQNXGUHKPXZNRN-SFHVURJKSA-N
MW433.53 g/mol
LogP4.33
Rot. Bonds6

About 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 54483309) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
PubChem CID54483309
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(O)c(Cc2ccc(OC[C@@H]3CCCN3c3ccc4ccccc4n3)cc2)s1
InChIInChI=1S/C24H23N3O3S/c28-23-21(31-24(29)26-23)14-16-7-10-19(11-8-16)30-15-18-5-3-13-27(18)22-12-9-17-4-1-2-6-20(17)25-22/h1-2,4,6-12,18,28H,3,5,13-15H2,(H,26,29)/t18-/m0/s1
InChIKeyXQNXGUHKPXZNRN-SFHVURJKSA-N
XLogP4.33
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one (CID 54483309) is 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(O)c(Cc2ccc(OC[C@@H]3CCCN3c3ccc4ccccc4n3)cc2)s1.
What is the InChIKey of 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XQNXGUHKPXZNRN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23N3O3S/c28-23-21(31-24(29)26-23)14-16-7-10-19(11-8-16)30-15-18-5-3-13-27(18)22-12-9-17-4-1-2-6-20(17)25-22/h1-2,4,6-12,18,28H,3,5,13-15H2,(H,26,29)/t18-/m0/s1.
What are the key properties of 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 433.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[[(2S)-1-quinolin-2-ylpyrrolidin-2-yl]methoxy]phenyl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54483309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).