1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline

C21H17F2N3O3S — CID 90469655

IUPAC1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cc(F)ccc1F)n1ccc2c(OC3CCNC3)nc3ccccc3c21
InChIInChI=1S/C21H17F2N3O3S/c22-13-5-6-17(23)19(11-13)30(27,28)26-10-8-16-20(26)15-3-1-2-4-18(15)25-21(16)29-14-7-9-24-12-14/h1-6,8,10-11,14,24H,7,9,12H2
InChIKeyMNEJLMJCVXYMMM-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.45
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline

1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline (PubChem CID 90469655) has the molecular formula C21H17F2N3O3S and a molecular weight of 429.45 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
PubChem CID90469655
Molecular FormulaC21H17F2N3O3S
Molecular Weight429.45 g/mol
Exact Mass429.10
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline
SMILESO=S(=O)(c1cc(F)ccc1F)n1ccc2c(OC3CCNC3)nc3ccccc3c21
InChIInChI=1S/C21H17F2N3O3S/c22-13-5-6-17(23)19(11-13)30(27,28)26-10-8-16-20(26)15-3-1-2-4-18(15)25-21(16)29-14-7-9-24-12-14/h1-6,8,10-11,14,24H,7,9,12H2
InChIKeyMNEJLMJCVXYMMM-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline (CID 90469655) is 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline is O=S(=O)(c1cc(F)ccc1F)n1ccc2c(OC3CCNC3)nc3ccccc3c21.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
The InChIKey is MNEJLMJCVXYMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O3S/c22-13-5-6-17(23)19(11-13)30(27,28)26-10-8-16-20(26)15-3-1-2-4-18(15)25-21(16)29-14-7-9-24-12-14/h1-6,8,10-11,14,24H,7,9,12H2.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline?
1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline has a molecular weight of 429.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-4-pyrrolidin-3-yloxypyrrolo[3,2-c]quinoline is sourced from PubChem (CID 90469655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).