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

C22H22N4O — CID 22668304

IUPAC3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESNC1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1
InChIInChI=1S/C22H22N4O/c23-17-7-8-26(13-17)12-14-5-6-20-16(9-14)11-21(24-20)18-10-15-3-1-2-4-19(15)25-22(18)27/h1-6,9-11,17,24H,7-8,12-13,23H2,(H,25,27)
InChIKeyBKTSJPDIBUUXGO-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.21
Rot. Bonds3

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

3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 22668304) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID22668304
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESNC1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1
InChIInChI=1S/C22H22N4O/c23-17-7-8-26(13-17)12-14-5-6-20-16(9-14)11-21(24-20)18-10-15-3-1-2-4-19(15)25-22(18)27/h1-6,9-11,17,24H,7-8,12-13,23H2,(H,25,27)
InChIKeyBKTSJPDIBUUXGO-UHFFFAOYSA-N
XLogP3.21
TPSA77.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
3-[5-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
ethyl 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]propanoate
CID 20696666
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597
methanesulfonic acid;3-[5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 10163766
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696650
3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696637
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one (CID 22668304) is 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one is NC1CCN(Cc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1.
What is the InChIKey of 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is BKTSJPDIBUUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-17-7-8-26(13-17)12-14-5-6-20-16(9-14)11-21(24-20)18-10-15-3-1-2-4-19(15)25-22(18)27/h1-6,9-11,17,24H,7-8,12-13,23H2,(H,25,27).
What are the key properties of 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 358.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22668304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).