ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate

C23H21N3O4 — CID 20852508

IUPACethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C(=O)OCC)cc3c21
InChIInChI=1S/C23H21N3O4/c1-3-29-20(27)14-26-22-17-12-16(23(28)30-4-2)10-11-19(17)24-13-18(22)21(25-26)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyNVTYRRPRCGTFHN-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.99
Rot. Bonds6

About ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (PubChem CID 20852508) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
PubChem CID20852508
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C(=O)OCC)cc3c21
InChIInChI=1S/C23H21N3O4/c1-3-29-20(27)14-26-22-17-12-16(23(28)30-4-2)10-11-19(17)24-13-18(22)21(25-26)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3
InChIKeyNVTYRRPRCGTFHN-UHFFFAOYSA-N
XLogP3.99
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate (CID 20852508) is ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(C(=O)OCC)cc3c21.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
The InChIKey is NVTYRRPRCGTFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-3-29-20(27)14-26-22-17-12-16(23(28)30-4-2)10-11-19(17)24-13-18(22)21(25-26)15-8-6-5-7-9-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate has a molecular weight of 403.44 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)-3-phenylpyrazolo[4,3-c]quinoline-8-carboxylate is sourced from PubChem (CID 20852508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).