3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

C20H24N6O2 — CID 90506363

IUPAC3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-14-19(15(2)23-22-14)25-11-9-24(10-12-25)18(27)7-8-26-13-21-17-6-4-3-5-16(17)20(26)28/h3-6,13H,7-12H2,1-2H3,(H,22,23)
InChIKeyBENPUJHWCWVPDQ-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.48
Rot. Bonds4

About 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 90506363) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID90506363
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H24N6O2/c1-14-19(15(2)23-22-14)25-11-9-24(10-12-25)18(27)7-8-26-13-21-17-6-4-3-5-16(17)20(26)28/h3-6,13H,7-12H2,1-2H3,(H,22,23)
InChIKeyBENPUJHWCWVPDQ-UHFFFAOYSA-N
XLogP1.48
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one with MolForge

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Related Compounds

3-(3-oxo-3-piperazin-1-ylpropyl)quinazolin-4-one;hydrochloride
CID 119402237
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[6-oxo-6-(4-phenylpiperazin-1-yl)hexyl]quinazolin-4-one
CID 4904361
3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 86877519
3-[4-(4-acetylpiperazin-1-yl)-4-oxobutyl]quinazolin-4-one
CID 56809684
1-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 90506360
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-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128
N-cyclopropyl-2-[4-[3-(4-oxoquinazolin-3-yl)propanoyl]piperazin-1-yl]acetamide
CID 55462563
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
3-[6-[4-(4-chlorophenyl)piperazin-1-yl]-6-oxohexyl]quinazolin-4-one
CID 39337926
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119578876

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one (CID 90506363) is 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is Cc1n[nH]c(C)c1N1CCN(C(=O)CCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is BENPUJHWCWVPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-19(15(2)23-22-14)25-11-9-24(10-12-25)18(27)7-8-26-13-21-17-6-4-3-5-16(17)20(26)28/h3-6,13H,7-12H2,1-2H3,(H,22,23).
What are the key properties of 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 90506363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).