ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate

C20H16BrN3O2 — CID 20852725

IUPACethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C20H16BrN3O2/c1-2-26-18(25)12-24-20-15-10-14(21)8-9-17(15)22-11-16(20)19(23-24)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyIFSFYPHQFSTBSQ-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.58
Rot. Bonds4

About ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate

ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (PubChem CID 20852725) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
PubChem CID20852725
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Nameethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C20H16BrN3O2/c1-2-26-18(25)12-24-20-15-10-14(21)8-9-17(15)22-11-16(20)19(23-24)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3
InChIKeyIFSFYPHQFSTBSQ-UHFFFAOYSA-N
XLogP4.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (CID 20852725) is ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The InChIKey is IFSFYPHQFSTBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c1-2-26-18(25)12-24-20-15-10-14(21)8-9-17(15)22-11-16(20)19(23-24)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate has a molecular weight of 410.27 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-bromo-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is sourced from PubChem (CID 20852725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).