2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone

C20H21N3O2 — CID 166319220

IUPAC2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3c4cccnc4CCC3C)c[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-13-5-8-17-19(4-3-9-21-17)23(13)20(24)10-14-12-22-18-11-15(25-2)6-7-16(14)18/h3-4,6-7,9,11-13,22H,5,8,10H2,1-2H3
InChIKeyJFJUWLNPZZXOBC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.48
Rot. Bonds3

About 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone

2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone (PubChem CID 166319220) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
PubChem CID166319220
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone
SMILESCOc1ccc2c(CC(=O)N3c4cccnc4CCC3C)c[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-13-5-8-17-19(4-3-9-21-17)23(13)20(24)10-14-12-22-18-11-15(25-2)6-7-16(14)18/h3-4,6-7,9,11-13,22H,5,8,10H2,1-2H3
InChIKeyJFJUWLNPZZXOBC-UHFFFAOYSA-N
XLogP3.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(6-fluoro-1H-indol-3-yl)-1-[(3R)-3-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
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N-(1,1-dioxothiolan-3-yl)-2-(6-methoxy-1H-indol-3-yl)acetamide
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6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
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1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
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1-(5-methoxy-1H-indol-3-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethane-1,2-dione
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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
The IUPAC name of 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone (CID 166319220) is 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone.
What is the SMILES notation for 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
The canonical SMILES for 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone is COc1ccc2c(CC(=O)N3c4cccnc4CCC3C)c[nH]c2c1.
What is the InChIKey of 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
The InChIKey is JFJUWLNPZZXOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-5-8-17-19(4-3-9-21-17)23(13)20(24)10-14-12-22-18-11-15(25-2)6-7-16(14)18/h3-4,6-7,9,11-13,22H,5,8,10H2,1-2H3.
What are the key properties of 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone?
2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone has a molecular weight of 335.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl)ethanone is sourced from PubChem (CID 166319220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).