2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid

C18H16N4O4 — CID 1255359

IUPAC2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
SMILESO=C(O)Cn1c(O)c(/N=N/C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N4O4/c23-15(10-19-12-6-2-1-3-7-12)20-21-17-13-8-4-5-9-14(13)22(18(17)26)11-16(24)25/h1-9,19,26H,10-11H2,(H,24,25)/b21-20+
InChIKeyUXCMNRIGTBSFET-QZQOTICOSA-N
MW352.35 g/mol
LogP3.15
Rot. Bonds6

About 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid

2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid (PubChem CID 1255359) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
PubChem CID1255359
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid
SMILESO=C(O)Cn1c(O)c(/N=N/C(=O)CNc2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N4O4/c23-15(10-19-12-6-2-1-3-7-12)20-21-17-13-8-4-5-9-14(13)22(18(17)26)11-16(24)25/h1-9,19,26H,10-11H2,(H,24,25)/b21-20+
InChIKeyUXCMNRIGTBSFET-QZQOTICOSA-N
XLogP3.15
TPSA116.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid (CID 1255359) is 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid is O=C(O)Cn1c(O)c(/N=N/C(=O)CNc2ccccc2)c2ccccc21.
What is the InChIKey of 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid?
The InChIKey is UXCMNRIGTBSFET-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-15(10-19-12-6-2-1-3-7-12)20-21-17-13-8-4-5-9-14(13)22(18(17)26)11-16(24)25/h1-9,19,26H,10-11H2,(H,24,25)/b21-20+.
What are the key properties of 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid?
2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid has a molecular weight of 352.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-anilinoacetyl)diazenyl]-2-hydroxyindol-1-yl]acetic acid is sourced from PubChem (CID 1255359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).