ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

C13H15N5O2 — CID 24993827

IUPACethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CCc1cnc(N)nc1-2
InChIInChI=1S/C13H15N5O2/c1-3-20-12(19)10-8-5-4-7-6-15-13(14)16-9(7)11(8)18(2)17-10/h6H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyGUAHQNVJSKHHDA-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.73
Rot. Bonds2

About ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (PubChem CID 24993827) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
PubChem CID24993827
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Nameethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nn(C)c2c1CCc1cnc(N)nc1-2
InChIInChI=1S/C13H15N5O2/c1-3-20-12(19)10-8-5-4-7-6-15-13(14)16-9(7)11(8)18(2)17-10/h6H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyGUAHQNVJSKHHDA-UHFFFAOYSA-N
XLogP0.73
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The IUPAC name of ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (CID 24993827) is ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is CCOC(=O)c1nn(C)c2c1CCc1cnc(N)nc1-2.
What is the InChIKey of ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The InChIKey is GUAHQNVJSKHHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-3-20-12(19)10-8-5-4-7-6-15-13(14)16-9(7)11(8)18(2)17-10/h6H,3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate has a molecular weight of 273.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is sourced from PubChem (CID 24993827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).