3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C22H20N6O3 — CID 121058782

IUPAC3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C22H20N6O3/c29-21(14-28-15-23-17-5-2-1-4-16(17)22(28)30)27-11-9-26(10-12-27)20-8-7-18(24-25-20)19-6-3-13-31-19/h1-8,13,15H,9-12,14H2
InChIKeySBMXFJVJZUBUPN-UHFFFAOYSA-N
MW416.44 g/mol
LogP1.80
Rot. Bonds4

About 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 121058782) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID121058782
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C22H20N6O3/c29-21(14-28-15-23-17-5-2-1-4-16(17)22(28)30)27-11-9-26(10-12-27)20-8-7-18(24-25-20)19-6-3-13-31-19/h1-8,13,15H,9-12,14H2
InChIKeySBMXFJVJZUBUPN-UHFFFAOYSA-N
XLogP1.80
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
6-(furan-2-yl)-2-[2-oxo-2-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 121058557
3-[3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 121059971
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 41233208
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 156586616
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one
CID 121090524
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 122355430
[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 121058794
2-(benzimidazol-1-yl)-1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121059948

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 121058782) is 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is SBMXFJVJZUBUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c29-21(14-28-15-23-17-5-2-1-4-16(17)22(28)30)27-11-9-26(10-12-27)20-8-7-18(24-25-20)19-6-3-13-31-19/h1-8,13,15H,9-12,14H2.
What are the key properties of 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 416.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 121058782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).