[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

C20H20N4O4 — CID 2483114

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O4/c25-18(13-28-20(26)19-16-3-1-2-4-17(16)22-23-19)21-14-5-7-15(8-6-14)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,21,25)(H,22,23)
InChIKeyQYINASOPJLPZMX-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.19
Rot. Bonds5

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2483114) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2483114
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H20N4O4/c25-18(13-28-20(26)19-16-3-1-2-4-17(16)22-23-19)21-14-5-7-15(8-6-14)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,21,25)(H,22,23)
InChIKeyQYINASOPJLPZMX-UHFFFAOYSA-N
XLogP2.19
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2483114) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is QYINASOPJLPZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-18(13-28-20(26)19-16-3-1-2-4-17(16)22-23-19)21-14-5-7-15(8-6-14)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,21,25)(H,22,23).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2483114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).