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

C17H18N4O3 — CID 4873967

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21
InChIInChI=1S/C17H18N4O3/c22-14-4-1-3-13-12(14)11-18-17(19-13)21-8-6-20(7-9-21)16(23)15-5-2-10-24-15/h2,5,10-11H,1,3-4,6-9H2
InChIKeyXGYATKHJGIKZHR-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.55
Rot. Bonds2

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

2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 4873967) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID4873967
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21
InChIInChI=1S/C17H18N4O3/c22-14-4-1-3-13-12(14)11-18-17(19-13)21-8-6-20(7-9-21)16(23)15-5-2-10-24-15/h2,5,10-11H,1,3-4,6-9H2
InChIKeyXGYATKHJGIKZHR-UHFFFAOYSA-N
XLogP1.55
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one (CID 4873967) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(N3CCN(C(=O)c4ccco4)CC3)ncc21.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XGYATKHJGIKZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c22-14-4-1-3-13-12(14)11-18-17(19-13)21-8-6-20(7-9-21)16(23)15-5-2-10-24-15/h2,5,10-11H,1,3-4,6-9H2.
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 326.36 g/mol, XLogP of 1.55, 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]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 4873967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).