2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid

C20H15NO2 — CID 154121546

IUPAC2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid
SMILESCc1ccc2ccccc2c1-c1cc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C20H15NO2/c1-12-6-7-13-4-2-3-5-16(13)19(12)18-10-14-8-9-15(20(22)23)11-17(14)21-18/h2-11,21H,1H3,(H,22,23)
InChIKeyNTFGASDXOWOBHM-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.99
Rot. Bonds2

About 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid

2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid (PubChem CID 154121546) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid
PubChem CID154121546
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid
SMILESCc1ccc2ccccc2c1-c1cc2ccc(C(=O)O)cc2[nH]1
InChIInChI=1S/C20H15NO2/c1-12-6-7-13-4-2-3-5-16(13)19(12)18-10-14-8-9-15(20(22)23)11-17(14)21-18/h2-11,21H,1H3,(H,22,23)
InChIKeyNTFGASDXOWOBHM-UHFFFAOYSA-N
XLogP4.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid?
The IUPAC name of 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid (CID 154121546) is 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid.
What is the SMILES notation for 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid?
The canonical SMILES for 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid is Cc1ccc2ccccc2c1-c1cc2ccc(C(=O)O)cc2[nH]1.
What is the InChIKey of 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid?
The InChIKey is NTFGASDXOWOBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-12-6-7-13-4-2-3-5-16(13)19(12)18-10-14-8-9-15(20(22)23)11-17(14)21-18/h2-11,21H,1H3,(H,22,23).
What are the key properties of 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid?
2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylnaphthalen-1-yl)-1H-indole-6-carboxylic acid is sourced from PubChem (CID 154121546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).