ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate

C18H18N6O2 — CID 134098616

IUPACethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3c(C#N)cnn3c3ccccc23)CC1
InChIInChI=1S/C18H18N6O2/c1-2-26-18(25)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)24-16(21-17)13(11-19)12-20-24/h3-6,12H,2,7-10H2,1H3
InChIKeyXZKUXKFPQPDUCG-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.03
Rot. Bonds2

About ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate

ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate (PubChem CID 134098616) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
PubChem CID134098616
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Nameethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc3c(C#N)cnn3c3ccccc23)CC1
InChIInChI=1S/C18H18N6O2/c1-2-26-18(25)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)24-16(21-17)13(11-19)12-20-24/h3-6,12H,2,7-10H2,1H3
InChIKeyXZKUXKFPQPDUCG-UHFFFAOYSA-N
XLogP2.03
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate (CID 134098616) is ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc3c(C#N)cnn3c3ccccc23)CC1.
What is the InChIKey of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
The InChIKey is XZKUXKFPQPDUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-2-26-18(25)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)24-16(21-17)13(11-19)12-20-24/h3-6,12H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate?
ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-cyanopyrazolo[1,5-a]quinazolin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 134098616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).