[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

C19H17N3O3 — CID 4624766

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1n[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-17(22-11-5-7-13-6-1-4-10-16(13)22)12-25-19(24)18-14-8-2-3-9-15(14)20-21-18/h1-4,6,8-10H,5,7,11-12H2,(H,20,21)
InChIKeyHGMXKWNSIFNTTG-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.70
Rot. Bonds3

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 4624766) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID4624766
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCc2ccccc21)c1n[nH]c2ccccc12
InChIInChI=1S/C19H17N3O3/c23-17(22-11-5-7-13-6-1-4-10-16(13)22)12-25-19(24)18-14-8-2-3-9-15(14)20-21-18/h1-4,6,8-10H,5,7,11-12H2,(H,20,21)
InChIKeyHGMXKWNSIFNTTG-UHFFFAOYSA-N
XLogP2.70
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 4624766) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(OCC(=O)N1CCCc2ccccc21)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is HGMXKWNSIFNTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-17(22-11-5-7-13-6-1-4-10-16(13)22)12-25-19(24)18-14-8-2-3-9-15(14)20-21-18/h1-4,6,8-10H,5,7,11-12H2,(H,20,21).
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 4624766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).