ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate

C22H20N2O3 — CID 632292

IUPACethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate
SMILESCCOC(=O)Cc1c2ccc3ccccc3c2nn1-c1ccc(OC)cc1
InChIInChI=1S/C22H20N2O3/c1-3-27-21(25)14-20-19-13-8-15-6-4-5-7-18(15)22(19)23-24(20)16-9-11-17(26-2)12-10-16/h4-13H,3,14H2,1-2H3
InChIKeyHZNMQWYXNGJLON-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.29
Rot. Bonds5

About ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate

ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate (PubChem CID 632292) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate
PubChem CID632292
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Nameethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate
SMILESCCOC(=O)Cc1c2ccc3ccccc3c2nn1-c1ccc(OC)cc1
InChIInChI=1S/C22H20N2O3/c1-3-27-21(25)14-20-19-13-8-15-6-4-5-7-18(15)22(19)23-24(20)16-9-11-17(26-2)12-10-16/h4-13H,3,14H2,1-2H3
InChIKeyHZNMQWYXNGJLON-UHFFFAOYSA-N
XLogP4.29
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate (CID 632292) is ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate is CCOC(=O)Cc1c2ccc3ccccc3c2nn1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate?
The InChIKey is HZNMQWYXNGJLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-3-27-21(25)14-20-19-13-8-15-6-4-5-7-18(15)22(19)23-24(20)16-9-11-17(26-2)12-10-16/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate?
ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate has a molecular weight of 360.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenyl)benzo[g]indazol-3-yl]acetate is sourced from PubChem (CID 632292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).