3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one

C24H26N4O — CID 20696650

IUPAC3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)C1CCNCC1
InChIInChI=1S/C24H26N4O/c1-28(19-8-10-25-11-9-19)15-16-6-7-22-18(12-16)14-23(26-22)20-13-17-4-2-3-5-21(17)27-24(20)29/h2-7,12-14,19,25-26H,8-11,15H2,1H3,(H,27,29)
InChIKeyQEIABFXYRVTEOD-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.86
Rot. Bonds4

About 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 20696650) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID20696650
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)C1CCNCC1
InChIInChI=1S/C24H26N4O/c1-28(19-8-10-25-11-9-19)15-16-6-7-22-18(12-16)14-23(26-22)20-13-17-4-2-3-5-21(17)27-24(20)29/h2-7,12-14,19,25-26H,8-11,15H2,1H3,(H,27,29)
InChIKeyQEIABFXYRVTEOD-UHFFFAOYSA-N
XLogP3.86
TPSA63.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one (CID 20696650) is 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one is CN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)C1CCNCC1.
What is the InChIKey of 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is QEIABFXYRVTEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-28(19-8-10-25-11-9-19)15-16-6-7-22-18(12-16)14-23(26-22)20-13-17-4-2-3-5-21(17)27-24(20)29/h2-7,12-14,19,25-26H,8-11,15H2,1H3,(H,27,29).
What are the key properties of 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 386.50 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 20696650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).