2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

C18H20N4O3 — CID 4873969

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C18H20N4O3/c1-12-16-13(4-2-5-14(16)23)20-18(19-12)22-9-7-21(8-10-22)17(24)15-6-3-11-25-15/h3,6,11H,2,4-5,7-10H2,1H3
InChIKeyQQPIXVNOMZPUJL-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.86
Rot. Bonds2

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one

2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4873969) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4873969
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CCC2
InChIInChI=1S/C18H20N4O3/c1-12-16-13(4-2-5-14(16)23)20-18(19-12)22-9-7-21(8-10-22)17(24)15-6-3-11-25-15/h3,6,11H,2,4-5,7-10H2,1H3
InChIKeyQQPIXVNOMZPUJL-UHFFFAOYSA-N
XLogP1.86
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one 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 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 4873969) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(C(=O)c3ccco3)CC2)nc2c1C(=O)CCC2.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is QQPIXVNOMZPUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12-16-13(4-2-5-14(16)23)20-18(19-12)22-9-7-21(8-10-22)17(24)15-6-3-11-25-15/h3,6,11H,2,4-5,7-10H2,1H3.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 340.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4873969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).