ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate

C19H16ClN3O3 — CID 122190666

IUPACethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c1=O)-c1cnn(-c3ccc(Cl)cc3)c1CC2
InChIInChI=1S/C19H16ClN3O3/c1-2-26-19(25)14-9-11-3-8-16-15(17(11)22-18(14)24)10-21-23(16)13-6-4-12(20)5-7-13/h4-7,9-10H,2-3,8H2,1H3,(H,22,24)
InChIKeyJGCCVOUQGDHDQI-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.16
Rot. Bonds3

About ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate

ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate (PubChem CID 122190666) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate
PubChem CID122190666
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Nameethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2c([nH]c1=O)-c1cnn(-c3ccc(Cl)cc3)c1CC2
InChIInChI=1S/C19H16ClN3O3/c1-2-26-19(25)14-9-11-3-8-16-15(17(11)22-18(14)24)10-21-23(16)13-6-4-12(20)5-7-13/h4-7,9-10H,2-3,8H2,1H3,(H,22,24)
InChIKeyJGCCVOUQGDHDQI-UHFFFAOYSA-N
XLogP3.16
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate (CID 122190666) is ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate is CCOC(=O)c1cc2c([nH]c1=O)-c1cnn(-c3ccc(Cl)cc3)c1CC2.
What is the InChIKey of ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate?
The InChIKey is JGCCVOUQGDHDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-2-26-19(25)14-9-11-3-8-16-15(17(11)22-18(14)24)10-21-23(16)13-6-4-12(20)5-7-13/h4-7,9-10H,2-3,8H2,1H3,(H,22,24).
What are the key properties of ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate?
ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate has a molecular weight of 369.81 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(4-chlorophenyl)-2-oxo-5,6-dihydro-1H-pyrazolo[5,4-h]quinoline-3-carboxylate is sourced from PubChem (CID 122190666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).