7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C23H28N6O3 — CID 126897294

IUPAC7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C(=O)c4ccc(=O)n(C(C)C)n4)CC3)ccc2c1=O
InChIInChI=1S/C23H28N6O3/c1-15(2)28-14-24-20-13-17(5-6-18(20)22(28)31)26-9-11-27(12-10-26)23(32)19-7-8-21(30)29(25-19)16(3)4/h5-8,13-16H,9-12H2,1-4H3
InChIKeyFJTTXBXNPZRELO-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.08
Rot. Bonds4

About 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897294) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897294
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C(=O)c4ccc(=O)n(C(C)C)n4)CC3)ccc2c1=O
InChIInChI=1S/C23H28N6O3/c1-15(2)28-14-24-20-13-17(5-6-18(20)22(28)31)26-9-11-27(12-10-26)23(32)19-7-8-21(30)29(25-19)16(3)4/h5-8,13-16H,9-12H2,1-4H3
InChIKeyFJTTXBXNPZRELO-UHFFFAOYSA-N
XLogP2.08
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one with MolForge

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Related Compounds

3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897276
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
6-(4-acetylpiperazine-1-carbonyl)-2-propan-2-ylpyridazin-3-one
CID 42161847
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897247
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126897557
7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897241
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897520
7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897381

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897294) is 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is CC(C)n1cnc2cc(N3CCN(C(=O)c4ccc(=O)n(C(C)C)n4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is FJTTXBXNPZRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-15(2)28-14-24-20-13-17(5-6-18(20)22(28)31)26-9-11-27(12-10-26)23(32)19-7-8-21(30)29(25-19)16(3)4/h5-8,13-16H,9-12H2,1-4H3.
What are the key properties of 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 436.52 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).