1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid

C20H15NO2 — CID 91690124

IUPAC1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H15NO2/c22-20(23)18-13-21(19-11-4-3-10-17(18)19)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,13H,12H2,(H,22,23)
InChIKeyJEGIPTJCIZQMHH-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.54
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid

1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid (PubChem CID 91690124) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
PubChem CID91690124
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C20H15NO2/c22-20(23)18-13-21(19-11-4-3-10-17(18)19)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,13H,12H2,(H,22,23)
InChIKeyJEGIPTJCIZQMHH-UHFFFAOYSA-N
XLogP4.54
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(carboxymethyl)indole-3-carboxylic acid
CID 14914502
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
CID 114346298
1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
CID 62370147
1-(2-propan-2-yloxyethyl)indole-3-carboxylic acid
CID 54957599
1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
CID 43316624
1-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]indole-3-carboxylic acid
CID 123204073
[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]urea
CID 126388460
1-(2-ethylsulfonylethyl)indole-3-carboxylic acid
CID 43807959
(E)-3-[1-(naphthalen-1-ylmethyl)indol-3-yl]-2-phenylprop-2-enenitrile
CID 126364856
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79103868
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid?
The IUPAC name of 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid (CID 91690124) is 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid is O=C(O)c1cn(Cc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid?
The InChIKey is JEGIPTJCIZQMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20(23)18-13-21(19-11-4-3-10-17(18)19)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,13H,12H2,(H,22,23).
What are the key properties of 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid?
1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid is sourced from PubChem (CID 91690124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).