3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid

C18H14N2O2 — CID 15949125

IUPAC3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C18H14N2O2/c21-18(22)11-5-6-17-15(8-11)13(10-20-17)7-12-9-19-16-4-2-1-3-14(12)16/h1-6,8-10,19-20H,7H2,(H,21,22)
InChIKeyKQGNAGYBPHWHON-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.94
Rot. Bonds3

About 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid

3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid (PubChem CID 15949125) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid
PubChem CID15949125
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C18H14N2O2/c21-18(22)11-5-6-17-15(8-11)13(10-20-17)7-12-9-19-16-4-2-1-3-14(12)16/h1-6,8-10,19-20H,7H2,(H,21,22)
InChIKeyKQGNAGYBPHWHON-UHFFFAOYSA-N
XLogP3.94
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid (CID 15949125) is 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid is O=C(O)c1ccc2[nH]cc(Cc3c[nH]c4ccccc34)c2c1.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid?
The InChIKey is KQGNAGYBPHWHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(22)11-5-6-17-15(8-11)13(10-20-17)7-12-9-19-16-4-2-1-3-14(12)16/h1-6,8-10,19-20H,7H2,(H,21,22).
What are the key properties of 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid?
3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 15949125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).