3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide

C21H19N5O3 — CID 135749649

IUPAC3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)/N=N/c2c(O)n(CC)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C21H19N5O3/c1-3-25-16-12-8-7-11-15(16)18(21(25)29)22-23-19(27)17-13-9-5-6-10-14(13)20(28)26(4-2)24-17/h5-12,29H,3-4H2,1-2H3/b23-22+
InChIKeyGTWNMOJELXZBLU-GHVJWSGMSA-N
MW389.42 g/mol
LogP4.02
Rot. Bonds4

About 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide

3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide (PubChem CID 135749649) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide
PubChem CID135749649
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)/N=N/c2c(O)n(CC)c3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C21H19N5O3/c1-3-25-16-12-8-7-11-15(16)18(21(25)29)22-23-19(27)17-13-9-5-6-10-14(13)20(28)26(4-2)24-17/h5-12,29H,3-4H2,1-2H3/b23-22+
InChIKeyGTWNMOJELXZBLU-GHVJWSGMSA-N
XLogP4.02
TPSA101.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 135811401
3-benzyl-N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-4-oxophthalazine-1-carboxamide
CID 3350383
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
4-amino-3,5,6-trichloro-N-(1-ethyl-2-hydroxyindol-3-yl)iminopyridine-2-carboxamide
CID 3887268
N-(2-hydroxy-1-propan-2-ylindol-3-yl)imino-3-methyl-4-oxophthalazine-1-carboxamide
CID 135582442
4-ethoxy-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 135577272
N-(1-ethyl-2-hydroxyindol-3-yl)imino-3,5-dinitrobenzamide
CID 3522953
N-(1-ethyl-2-hydroxyindol-3-yl)imino-6-(hydroxyiminomethyl)pyridine-3-carboxamide
CID 135441894
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-hydroxy-2,2-diphenylacetamide
CID 1356442
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide (CID 135749649) is 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)/N=N/c2c(O)n(CC)c3ccccc23)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide?
The InChIKey is GTWNMOJELXZBLU-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-3-25-16-12-8-7-11-15(16)18(21(25)29)22-23-19(27)17-13-9-5-6-10-14(13)20(28)26(4-2)24-17/h5-12,29H,3-4H2,1-2H3/b23-22+.
What are the key properties of 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide?
3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 135749649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).