4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid

C19H14N2O6 — CID 166764984

IUPAC4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc2[nH]c(C(=O)O)cc2c1-c1cc(O)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C19H14N2O6/c1-27-15-3-2-12-10(7-14(20-12)19(25)26)16(15)11-6-9(22)4-8-5-13(18(23)24)21-17(8)11/h2-7,20-22H,1H3,(H,23,24)(H,25,26)
InChIKeyDNOSPURDTGXAGV-UHFFFAOYSA-N
MW366.33 g/mol
LogP3.43
Rot. Bonds4

About 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid

4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid (PubChem CID 166764984) has the molecular formula C19H14N2O6 and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid
PubChem CID166764984
Molecular FormulaC19H14N2O6
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid
SMILESCOc1ccc2[nH]c(C(=O)O)cc2c1-c1cc(O)cc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C19H14N2O6/c1-27-15-3-2-12-10(7-14(20-12)19(25)26)16(15)11-6-9(22)4-8-5-13(18(23)24)21-17(8)11/h2-7,20-22H,1H3,(H,23,24)(H,25,26)
InChIKeyDNOSPURDTGXAGV-UHFFFAOYSA-N
XLogP3.43
TPSA135.64 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 53.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethoxy-1H-indole-2-carboxylic acid
CID 7131354
4-methoxy-5-methyl-1H-indole-2-carboxylic acid
CID 4262975
7-acetyl-4-methoxy-1H-indole-2-carboxylic acid
CID 12908193
6-fluoro-4-methoxy-1H-indole-2-carboxylic acid
CID 67227038
1-(4-chloro-5-methoxy-1H-indol-2-yl)ethanone
CID 131380189
4-chloro-5,6-dimethoxy-1H-indole-2-carboxylic acid
CID 55250200
5-chlorosulfonyl-4-methoxy-1H-indole-2-carboxylic acid
CID 82378257
7-(4-chlorobenzoyl)-4-methoxy-1H-indole-2-carboxylic acid
CID 12908178
[3-[2-carboxy-5-methoxy-7-(methylamino)-1H-indol-6-yl]-2-pyridinyl]sulfanium
CID 143661049
4-(2-methoxy-5-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799435
7-hydroxy-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylic acid
CID 115007759
4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
CID 132597550

Frequently Asked Questions

What is the IUPAC name of 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid (CID 166764984) is 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid is COc1ccc2[nH]c(C(=O)O)cc2c1-c1cc(O)cc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid?
The InChIKey is DNOSPURDTGXAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O6/c1-27-15-3-2-12-10(7-14(20-12)19(25)26)16(15)11-6-9(22)4-8-5-13(18(23)24)21-17(8)11/h2-7,20-22H,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid?
4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid has a molecular weight of 366.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carboxy-5-hydroxy-1H-indol-7-yl)-5-methoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 166764984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).