3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

C23H27N7O3 — CID 122355430

IUPAC3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C23H27N7O3/c31-22(5-6-30-17-24-20-4-2-1-3-19(20)23(30)32)29-9-7-28(8-10-29)21-15-18(16-25-26-21)27-11-13-33-14-12-27/h1-4,15-17H,5-14H2
InChIKeyYBUQVULUIRDBMF-UHFFFAOYSA-N
MW449.52 g/mol
LogP0.76
Rot. Bonds5

About 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 122355430) has the molecular formula C23H27N7O3 and a molecular weight of 449.52 g/mol. Its IUPAC name is 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID122355430
Molecular FormulaC23H27N7O3
Molecular Weight449.52 g/mol
Exact Mass449.22
IUPAC Name3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C23H27N7O3/c31-22(5-6-30-17-24-20-4-2-1-3-19(20)23(30)32)29-9-7-28(8-10-29)21-15-18(16-25-26-21)27-11-13-33-14-12-27/h1-4,15-17H,5-14H2
InChIKeyYBUQVULUIRDBMF-UHFFFAOYSA-N
XLogP0.76
TPSA96.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one with MolForge

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Related Compounds

1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
3-[6-[4-(4-chlorophenyl)piperazin-1-yl]-6-oxohexyl]quinazolin-4-one
CID 39337926
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 122333851
3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-[3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 121059971
6-chloro-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
CID 134005488
4-[3-(4-oxoquinazolin-3-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239315
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
N-(6-morpholin-4-ylpyrimidin-4-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 71794855
3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 90506363

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 122355430) is 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is YBUQVULUIRDBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3/c31-22(5-6-30-17-24-20-4-2-1-3-19(20)23(30)32)29-9-7-28(8-10-29)21-15-18(16-25-26-21)27-11-13-33-14-12-27/h1-4,15-17H,5-14H2.
What are the key properties of 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 449.52 g/mol, XLogP of 0.76, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 122355430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).