cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone

C22H24N4O2 — CID 83277028

IUPACcyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccc2nc(-c3ccco3)nc(N3CCN(C(=O)C4CCC4)CC3)c2c1
InChIInChI=1S/C22H24N4O2/c1-15-7-8-18-17(14-15)21(24-20(23-18)19-6-3-13-28-19)25-9-11-26(12-10-25)22(27)16-4-2-5-16/h3,6-8,13-14,16H,2,4-5,9-12H2,1H3
InChIKeyKATGADHDFUYFFE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.65
Rot. Bonds3

About cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone

cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone (PubChem CID 83277028) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone
PubChem CID83277028
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Namecyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccc2nc(-c3ccco3)nc(N3CCN(C(=O)C4CCC4)CC3)c2c1
InChIInChI=1S/C22H24N4O2/c1-15-7-8-18-17(14-15)21(24-20(23-18)19-6-3-13-28-19)25-9-11-26(12-10-25)22(27)16-4-2-5-16/h3,6-8,13-14,16H,2,4-5,9-12H2,1H3
InChIKeyKATGADHDFUYFFE-UHFFFAOYSA-N
XLogP3.65
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone 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 cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone (CID 83277028) is cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone is Cc1ccc2nc(-c3ccco3)nc(N3CCN(C(=O)C4CCC4)CC3)c2c1.
What is the InChIKey of cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone?
The InChIKey is KATGADHDFUYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-7-8-18-17(14-15)21(24-20(23-18)19-6-3-13-28-19)25-9-11-26(12-10-25)22(27)16-4-2-5-16/h3,6-8,13-14,16H,2,4-5,9-12H2,1H3.
What are the key properties of cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone?
cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[2-(furan-2-yl)-6-methylquinazolin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 83277028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).