N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

C19H12N4O7 — CID 137179330

IUPACN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H12N4O7/c24-16(9-29-12-4-1-10-2-6-17(25)30-15(10)8-12)21-22-18-13-7-11(23(27)28)3-5-14(13)20-19(18)26/h1-8,20,26H,9H2/b22-21+
InChIKeyNEISOLJCMCEIEW-QURGRASLSA-N
MW408.33 g/mol
LogP3.58
Rot. Bonds5

About N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide

N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179330) has the molecular formula C19H12N4O7 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID137179330
Molecular FormulaC19H12N4O7
Molecular Weight408.33 g/mol
Exact Mass408.07
IUPAC NameN-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H12N4O7/c24-16(9-29-12-4-1-10-2-6-17(25)30-15(10)8-12)21-22-18-13-7-11(23(27)28)3-5-14(13)20-19(18)26/h1-8,20,26H,9H2/b22-21+
InChIKeyNEISOLJCMCEIEW-QURGRASLSA-N
XLogP3.58
TPSA160.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179330) is N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NEISOLJCMCEIEW-QURGRASLSA-N. The full InChI is InChI=1S/C19H12N4O7/c24-16(9-29-12-4-1-10-2-6-17(25)30-15(10)8-12)21-22-18-13-7-11(23(27)28)3-5-14(13)20-19(18)26/h1-8,20,26H,9H2/b22-21+.
What are the key properties of N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 408.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).