3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]

C23H19NOS — CID 101462245

IUPAC3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]
SMILESC1=Nc2ccccc2C2(OCCS2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NOS/c1-3-9-18(10-4-1)22(19-11-5-2-6-12-19)17-24-21-14-8-7-13-20(21)23(22)25-15-16-26-23/h1-14,17H,15-16H2
InChIKeyCWUWEFDQSYVTLN-UHFFFAOYSA-N
MW357.48 g/mol
LogP5.30
Rot. Bonds2

About 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]

3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline] (PubChem CID 101462245) has the molecular formula C23H19NOS and a molecular weight of 357.48 g/mol. Its IUPAC name is 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline].

Molecular Properties

Compound Name3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]
PubChem CID101462245
Molecular FormulaC23H19NOS
Molecular Weight357.48 g/mol
Exact Mass357.12
IUPAC Name3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]
SMILESC1=Nc2ccccc2C2(OCCS2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19NOS/c1-3-9-18(10-4-1)22(19-11-5-2-6-12-19)17-24-21-14-8-7-13-20(21)23(22)25-15-16-26-23/h1-14,17H,15-16H2
InChIKeyCWUWEFDQSYVTLN-UHFFFAOYSA-N
XLogP5.30
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.48
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]?
The IUPAC name of 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline] (CID 101462245) is 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline].
What is the SMILES notation for 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]?
The canonical SMILES for 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline] is C1=Nc2ccccc2C2(OCCS2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]?
The InChIKey is CWUWEFDQSYVTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NOS/c1-3-9-18(10-4-1)22(19-11-5-2-6-12-19)17-24-21-14-8-7-13-20(21)23(22)25-15-16-26-23/h1-14,17H,15-16H2.
What are the key properties of 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]?
3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline] has a molecular weight of 357.48 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline] is sourced from PubChem (CID 101462245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).