[2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate

C20H12N4O2S — CID 88910743

IUPAC[2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3cnc4ccccc4c3)c3ccccc32)n1
InChIInChI=1S/C20H12N4O2S/c25-12-26-18-11-27-20(22-18)24-17-8-4-2-6-15(17)19(23-24)14-9-13-5-1-3-7-16(13)21-10-14/h1-12H
InChIKeyJVXOGHSORPAECZ-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.23
Rot. Bonds4

About [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate

[2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910743) has the molecular formula C20H12N4O2S and a molecular weight of 372.41 g/mol. Its IUPAC name is [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910743
Molecular FormulaC20H12N4O2S
Molecular Weight372.41 g/mol
Exact Mass372.07
IUPAC Name[2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3cnc4ccccc4c3)c3ccccc32)n1
InChIInChI=1S/C20H12N4O2S/c25-12-26-18-11-27-20(22-18)24-17-8-4-2-6-15(17)19(23-24)14-9-13-5-1-3-7-16(13)21-10-14/h1-12H
InChIKeyJVXOGHSORPAECZ-UHFFFAOYSA-N
XLogP4.23
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate (CID 88910743) is [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3cnc4ccccc4c3)c3ccccc32)n1.
What is the InChIKey of [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is JVXOGHSORPAECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O2S/c25-12-26-18-11-27-20(22-18)24-17-8-4-2-6-15(17)19(23-24)14-9-13-5-1-3-7-16(13)21-10-14/h1-12H.
What are the key properties of [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate?
[2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 372.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-quinolin-3-ylindazol-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).