[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone

C20H19N3O — CID 112529811

IUPAC[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone
SMILESCc1c(CCN)c2ccccc2n1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C20H19N3O/c1-13-15(9-11-21)16-6-2-3-8-18(16)23(13)20(24)17-7-4-5-14-10-12-22-19(14)17/h2-8,10,12,22H,9,11,21H2,1H3
InChIKeyWJKOZGGMKFKQLE-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.62
Rot. Bonds3

About [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone

[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 112529811) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone
PubChem CID112529811
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone
SMILESCc1c(CCN)c2ccccc2n1C(=O)c1cccc2cc[nH]c12
InChIInChI=1S/C20H19N3O/c1-13-15(9-11-21)16-6-2-3-8-18(16)23(13)20(24)17-7-4-5-14-10-12-22-19(14)17/h2-8,10,12,22H,9,11,21H2,1H3
InChIKeyWJKOZGGMKFKQLE-UHFFFAOYSA-N
XLogP3.62
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone (CID 112529811) is [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone is Cc1c(CCN)c2ccccc2n1C(=O)c1cccc2cc[nH]c12.
What is the InChIKey of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is WJKOZGGMKFKQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-15(9-11-21)16-6-2-3-8-18(16)23(13)20(24)17-7-4-5-14-10-12-22-19(14)17/h2-8,10,12,22H,9,11,21H2,1H3.
What are the key properties of [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone?
[3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-2-methylindol-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 112529811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).