8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C18H24N6O2 — CID 67975450

IUPAC8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCNCC1)CC2
InChIInChI=1S/C18H24N6O2/c1-2-26-18-21-9-12-3-4-13-15(17(19)25)23-24(16(13)14(12)22-18)10-11-5-7-20-8-6-11/h9,11,20H,2-8,10H2,1H3,(H2,19,25)
InChIKeyPLAFWAHDXTXYKE-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.94
Rot. Bonds5

About 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 67975450) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID67975450
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCNCC1)CC2
InChIInChI=1S/C18H24N6O2/c1-2-26-18-21-9-12-3-4-13-15(17(19)25)23-24(16(13)14(12)22-18)10-11-5-7-20-8-6-11/h9,11,20H,2-8,10H2,1H3,(H2,19,25)
InChIKeyPLAFWAHDXTXYKE-UHFFFAOYSA-N
XLogP0.94
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide 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 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 67975450) is 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCNCC1)CC2.
What is the InChIKey of 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is PLAFWAHDXTXYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-2-26-18-21-9-12-3-4-13-15(17(19)25)23-24(16(13)14(12)22-18)10-11-5-7-20-8-6-11/h9,11,20H,2-8,10H2,1H3,(H2,19,25).
What are the key properties of 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 67975450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).