5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

C15H18N2O — CID 3055249

IUPAC5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyTTZUYLGBEOWNTP-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.90
Rot. Bonds2

About 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole

5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 3055249) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID3055249
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyTTZUYLGBEOWNTP-UHFFFAOYSA-N
XLogP2.90
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 3055249) is 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is COc1ccc2[nH]cc(C3=CCN(C)CC3)c2c1.
What is the InChIKey of 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is TTZUYLGBEOWNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17-7-5-11(6-8-17)14-10-16-15-4-3-12(18-2)9-13(14)15/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 242.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 3055249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).