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

C24H26N4O — CID 20696637

IUPAC3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCCC1CNCc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C24H26N4O/c1-28-10-4-6-19(28)15-25-14-16-8-9-22-18(11-16)13-23(26-22)20-12-17-5-2-3-7-21(17)27-24(20)29/h2-3,5,7-9,11-13,19,25-26H,4,6,10,14-15H2,1H3,(H,27,29)
InChIKeyGIHZOJNWYQCSGE-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.86
Rot. Bonds5

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

3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 20696637) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID20696637
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN1CCCC1CNCc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C24H26N4O/c1-28-10-4-6-19(28)15-25-14-16-8-9-22-18(11-16)13-23(26-22)20-12-17-5-2-3-7-21(17)27-24(20)29/h2-3,5,7-9,11-13,19,25-26H,4,6,10,14-15H2,1H3,(H,27,29)
InChIKeyGIHZOJNWYQCSGE-UHFFFAOYSA-N
XLogP3.86
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
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-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696650
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-[(4-acetyl-1,4-diazepan-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668224
methanol;3-[5-[(4-methylsulfanylpiperazin-1-ium-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 142059869
N-[(3,4-dimethylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103626307
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597
ethyl 3-[4-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperazin-1-yl]propanoate
CID 20696666
N-[(3-methylphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine;hydrochloride
CID 115593277

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one (CID 20696637) is 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one is CN1CCCC1CNCc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.
What is the InChIKey of 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is GIHZOJNWYQCSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-28-10-4-6-19(28)15-25-14-16-8-9-22-18(11-16)13-23(26-22)20-12-17-5-2-3-7-21(17)27-24(20)29/h2-3,5,7-9,11-13,19,25-26H,4,6,10,14-15H2,1H3,(H,27,29).
What are the key properties of 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 386.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 20696637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).