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

C22H21N3O2 — CID 6621648

IUPACethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(CC)cc3c21
InChIInChI=1S/C22H21N3O2/c1-3-15-10-11-19-17(12-15)22-18(13-23-19)21(16-8-6-5-7-9-16)24-25(22)14-20(26)27-4-2/h5-13H,3-4,14H2,1-2H3
InChIKeyUICMPPGVEDBMKM-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.38
Rot. Bonds5

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

ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (PubChem CID 6621648) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
PubChem CID6621648
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Nameethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(CC)cc3c21
InChIInChI=1S/C22H21N3O2/c1-3-15-10-11-19-17(12-15)22-18(13-23-19)21(16-8-6-5-7-9-16)24-25(22)14-20(26)27-4-2/h5-13H,3-4,14H2,1-2H3
InChIKeyUICMPPGVEDBMKM-UHFFFAOYSA-N
XLogP4.38
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The IUPAC name of ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate (CID 6621648) is ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The canonical SMILES for ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(CC)cc3c21.
What is the InChIKey of ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
The InChIKey is UICMPPGVEDBMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-3-15-10-11-19-17(12-15)22-18(13-23-19)21(16-8-6-5-7-9-16)24-25(22)14-20(26)27-4-2/h5-13H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate?
ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate has a molecular weight of 359.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-ethyl-3-phenylpyrazolo[4,3-c]quinolin-1-yl)acetate is sourced from PubChem (CID 6621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).