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

C20H15N3O5 — CID 137179325

IUPACN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)COc3ccc4ccc(=O)oc4c3)c2c1
InChIInChI=1S/C20H15N3O5/c1-11-2-6-15-14(8-11)19(20(26)21-15)23-22-17(24)10-27-13-5-3-12-4-7-18(25)28-16(12)9-13/h2-9,21,26H,10H2,1H3/b23-22+
InChIKeyCDSQQGGWZPZJSI-GHVJWSGMSA-N
MW377.36 g/mol
LogP3.98
Rot. Bonds4

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

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 137179325) has the molecular formula C20H15N3O5 and a molecular weight of 377.36 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID137179325
Molecular FormulaC20H15N3O5
Molecular Weight377.36 g/mol
Exact Mass377.10
IUPAC NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)COc3ccc4ccc(=O)oc4c3)c2c1
InChIInChI=1S/C20H15N3O5/c1-11-2-6-15-14(8-11)19(20(26)21-15)23-22-17(24)10-27-13-5-3-12-4-7-18(25)28-16(12)9-13/h2-9,21,26H,10H2,1H3/b23-22+
InChIKeyCDSQQGGWZPZJSI-GHVJWSGMSA-N
XLogP3.98
TPSA117.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide (CID 137179325) is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is Cc1ccc2[nH]c(O)c(/N=N/C(=O)COc3ccc4ccc(=O)oc4c3)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is CDSQQGGWZPZJSI-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H15N3O5/c1-11-2-6-15-14(8-11)19(20(26)21-15)23-22-17(24)10-27-13-5-3-12-4-7-18(25)28-16(12)9-13/h2-9,21,26H,10H2,1H3/b23-22+.
What are the key properties of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 377.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 137179325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).