2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline

C25H27N3 — CID 21196250

IUPAC2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline
SMILESCn1c(Cc2ccc3ccccc3n2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C25H27N3/c1-27-24-12-6-4-10-21(24)22(18-28-15-7-2-8-16-28)25(27)17-20-14-13-19-9-3-5-11-23(19)26-20/h3-6,9-14H,2,7-8,15-18H2,1H3
InChIKeyGAXKFVFGJSCWCW-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.30
Rot. Bonds4

About 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline

2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline (PubChem CID 21196250) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline
PubChem CID21196250
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline
SMILESCn1c(Cc2ccc3ccccc3n2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C25H27N3/c1-27-24-12-6-4-10-21(24)22(18-28-15-7-2-8-16-28)25(27)17-20-14-13-19-9-3-5-11-23(19)26-20/h3-6,9-14H,2,7-8,15-18H2,1H3
InChIKeyGAXKFVFGJSCWCW-UHFFFAOYSA-N
XLogP5.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline?
The IUPAC name of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline (CID 21196250) is 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline.
What is the SMILES notation for 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline?
The canonical SMILES for 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline is Cn1c(Cc2ccc3ccccc3n2)c(CN2CCCCC2)c2ccccc21.
What is the InChIKey of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline?
The InChIKey is GAXKFVFGJSCWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3/c1-27-24-12-6-4-10-21(24)22(18-28-15-7-2-8-16-28)25(27)17-20-14-13-19-9-3-5-11-23(19)26-20/h3-6,9-14H,2,7-8,15-18H2,1H3.
What are the key properties of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline?
2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline has a molecular weight of 369.51 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline is sourced from PubChem (CID 21196250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).