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

C16H20N2O — CID 15619873

IUPAC5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]c(C)c(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C16H20N2O/c1-11-16(12-6-8-18(2)9-7-12)14-10-13(19-3)4-5-15(14)17-11/h4-6,10,17H,7-9H2,1-3H3
InChIKeyQYZZTGYPGKLEFZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.20
Rot. Bonds2

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

5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (PubChem CID 15619873) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
PubChem CID15619873
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
SMILESCOc1ccc2[nH]c(C)c(C3=CCN(C)CC3)c2c1
InChIInChI=1S/C16H20N2O/c1-11-16(12-6-8-18(2)9-7-12)14-10-13(19-3)4-5-15(14)17-11/h4-6,10,17H,7-9H2,1-3H3
InChIKeyQYZZTGYPGKLEFZ-UHFFFAOYSA-N
XLogP3.20
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The IUPAC name of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole (CID 15619873) is 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole.
What is the SMILES notation for 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The canonical SMILES for 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is COc1ccc2[nH]c(C)c(C3=CCN(C)CC3)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
The InChIKey is QYZZTGYPGKLEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-16(12-6-8-18(2)9-7-12)14-10-13(19-3)4-5-15(14)17-11/h4-6,10,17H,7-9H2,1-3H3.
What are the key properties of 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole?
5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole has a molecular weight of 256.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole is sourced from PubChem (CID 15619873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).