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

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Related Compounds

2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 83277241
cyclohexyl-[4-[2-(furan-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42799469
2-(furan-2-yl)-6-methyl-4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]quinazoline
CID 83277036
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
CID 83277016
cyclobutyl-[4-(3-cyclohexyl-9-methyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
CID 46063935
cyclohexyl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 18575569
[1-(6-methylquinolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133467900
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 134019590
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
4-(4-benzylpiperidin-1-yl)-2-(furan-2-yl)quinazoline
CID 91964253
cyclobutyl-[4-[6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 42673572
2-[4-(furan-2-yl)phenyl]-6-methylquinoline-4-carboxylic acid
CID 168527201

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).