ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

C14H16FN5O2 — CID 68668724

IUPACethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nn(CCF)c2c1CCc1cnc(N)nc1-2
InChIInChI=1S/C14H16FN5O2/c1-2-22-13(21)11-9-4-3-8-7-17-14(16)18-10(8)12(9)20(19-11)6-5-15/h7H,2-6H2,1H3,(H2,16,17,18)
InChIKeyHPPXATKBJJFCKI-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.17
Rot. Bonds4

About ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (PubChem CID 68668724) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
PubChem CID68668724
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC Nameethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCCOC(=O)c1nn(CCF)c2c1CCc1cnc(N)nc1-2
InChIInChI=1S/C14H16FN5O2/c1-2-22-13(21)11-9-4-3-8-7-17-14(16)18-10(8)12(9)20(19-11)6-5-15/h7H,2-6H2,1H3,(H2,16,17,18)
InChIKeyHPPXATKBJJFCKI-UHFFFAOYSA-N
XLogP1.17
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The IUPAC name of ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (CID 68668724) is ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.
What is the SMILES notation for ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The canonical SMILES for ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is CCOC(=O)c1nn(CCF)c2c1CCc1cnc(N)nc1-2.
What is the InChIKey of ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The InChIKey is HPPXATKBJJFCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O2/c1-2-22-13(21)11-9-4-3-8-7-17-14(16)18-10(8)12(9)20(19-11)6-5-15/h7H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate has a molecular weight of 305.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-1-(2-fluoroethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is sourced from PubChem (CID 68668724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).