1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid

C18H18N2O6 — CID 175338112

IUPAC1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)N(O)C1(C2)c2ccccc2N(C(=O)O)C1O
InChIInChI=1S/C18H18N2O6/c1-25-14-7-10-9-18(20(24)13(10)8-15(14)26-2)11-5-3-4-6-12(11)19(16(18)21)17(22)23/h3-8,16,21,24H,9H2,1-2H3,(H,22,23)
InChIKeyXXJPXNCFLHINNI-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.17
Rot. Bonds2

About 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid

1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid (PubChem CID 175338112) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid.

Molecular Properties

Compound Name1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid
PubChem CID175338112
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid
SMILESCOc1cc2c(cc1OC)N(O)C1(C2)c2ccccc2N(C(=O)O)C1O
InChIInChI=1S/C18H18N2O6/c1-25-14-7-10-9-18(20(24)13(10)8-15(14)26-2)11-5-3-4-6-12(11)19(16(18)21)17(22)23/h3-8,16,21,24H,9H2,1-2H3,(H,22,23)
InChIKeyXXJPXNCFLHINNI-UHFFFAOYSA-N
XLogP2.17
TPSA102.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid?
The IUPAC name of 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid (CID 175338112) is 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid.
What is the SMILES notation for 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid?
The canonical SMILES for 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid is COc1cc2c(cc1OC)N(O)C1(C2)c2ccccc2N(C(=O)O)C1O.
What is the InChIKey of 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid?
The InChIKey is XXJPXNCFLHINNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-25-14-7-10-9-18(20(24)13(10)8-15(14)26-2)11-5-3-4-6-12(11)19(16(18)21)17(22)23/h3-8,16,21,24H,9H2,1-2H3,(H,22,23).
What are the key properties of 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid?
1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid has a molecular weight of 358.35 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2-dihydroxy-5',6'-dimethoxyspiro[2H-indole-3,2'-3H-indole]-1-carboxylic acid is sourced from PubChem (CID 175338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).