2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid

C21H15NO3 — CID 91690277

IUPAC2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H15NO3/c1-13-19(21(24)25)17-8-4-5-9-18(17)22(13)20(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,24,25)
InChIKeyZLLZGDBJSMICIN-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.49
Rot. Bonds2

About 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid

2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid (PubChem CID 91690277) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
PubChem CID91690277
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid
SMILESCc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H15NO3/c1-13-19(21(24)25)17-8-4-5-9-18(17)22(13)20(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,24,25)
InChIKeyZLLZGDBJSMICIN-UHFFFAOYSA-N
XLogP4.49
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid (CID 91690277) is 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid is Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid?
The InChIKey is ZLLZGDBJSMICIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-13-19(21(24)25)17-8-4-5-9-18(17)22(13)20(23)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3,(H,24,25).
What are the key properties of 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid?
2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(naphthalene-2-carbonyl)indole-3-carboxylic acid is sourced from PubChem (CID 91690277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).