3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one

C22H21N3O2 — CID 22668265

IUPAC3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(CN3CCC(O)C3)ccc2[nH]1
InChIInChI=1S/C22H21N3O2/c26-17-7-8-25(13-17)12-14-5-6-20-16(9-14)11-21(23-20)18-10-15-3-1-2-4-19(15)24-22(18)27/h1-6,9-11,17,23,26H,7-8,12-13H2,(H,24,27)
InChIKeyOYBRDYVZUAXDTD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.24
Rot. Bonds3

About 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 22668265) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID22668265
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1cc2cc(CN3CCC(O)C3)ccc2[nH]1
InChIInChI=1S/C22H21N3O2/c26-17-7-8-25(13-17)12-14-5-6-20-16(9-14)11-21(23-20)18-10-15-3-1-2-4-19(15)24-22(18)27/h1-6,9-11,17,23,26H,7-8,12-13H2,(H,24,27)
InChIKeyOYBRDYVZUAXDTD-UHFFFAOYSA-N
XLogP3.24
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one (CID 22668265) is 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1cc2cc(CN3CCC(O)C3)ccc2[nH]1.
What is the InChIKey of 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is OYBRDYVZUAXDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-17-7-8-25(13-17)12-14-5-6-20-16(9-14)11-21(23-20)18-10-15-3-1-2-4-19(15)24-22(18)27/h1-6,9-11,17,23,26H,7-8,12-13H2,(H,24,27).
What are the key properties of 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22668265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).