4-naphthalen-1-yl-1H-indole-2-carboxylic acid

C19H13NO2 — CID 91885647

IUPAC4-naphthalen-1-yl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3cccc4ccccc34)cccc2[nH]1
InChIInChI=1S/C19H13NO2/c21-19(22)18-11-16-15(9-4-10-17(16)20-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,20H,(H,21,22)
InChIKeyQVAVQSOUZBBMKK-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.69
Rot. Bonds2

About 4-naphthalen-1-yl-1H-indole-2-carboxylic acid

4-naphthalen-1-yl-1H-indole-2-carboxylic acid (PubChem CID 91885647) has the molecular formula C19H13NO2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-naphthalen-1-yl-1H-indole-2-carboxylic acid
PubChem CID91885647
Molecular FormulaC19H13NO2
Molecular Weight287.32 g/mol
Exact Mass287.09
IUPAC Name4-naphthalen-1-yl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(-c3cccc4ccccc34)cccc2[nH]1
InChIInChI=1S/C19H13NO2/c21-19(22)18-11-16-15(9-4-10-17(16)20-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,20H,(H,21,22)
InChIKeyQVAVQSOUZBBMKK-UHFFFAOYSA-N
XLogP4.69
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
CID 1820
5-methyl-1H-indole-2-carboxylic acid
CID 259188
2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
CID 18071365
2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 2063433
Harman-3-Carboxylic Acid
CID 5406157
9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-acetyl-
CID 5488588
2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 729801
2-phenyl-1H-indole-6-carboxylic acid
CID 826252
3-methyl-2,3,4,9-tetrahydro-1H-carbazole-6-carboxylic acid
CID 2791194
2-(1H-indol-2-yl)benzoic acid
CID 711638
1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
CID 46398840

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1H-indole-2-carboxylic acid?
The IUPAC name of 4-naphthalen-1-yl-1H-indole-2-carboxylic acid (CID 91885647) is 4-naphthalen-1-yl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-naphthalen-1-yl-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-naphthalen-1-yl-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(-c3cccc4ccccc34)cccc2[nH]1.
What is the InChIKey of 4-naphthalen-1-yl-1H-indole-2-carboxylic acid?
The InChIKey is QVAVQSOUZBBMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2/c21-19(22)18-11-16-15(9-4-10-17(16)20-18)14-8-3-6-12-5-1-2-7-13(12)14/h1-11,20H,(H,21,22).
What are the key properties of 4-naphthalen-1-yl-1H-indole-2-carboxylic acid?
4-naphthalen-1-yl-1H-indole-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 91885647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).