3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one

C19H22N6O2 — CID 126897276

IUPAC3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C(=O)c4cn[nH]c4)CC3)ccc2c1=O
InChIInChI=1S/C19H22N6O2/c1-13(2)25-12-20-17-9-15(3-4-16(17)19(25)27)23-5-7-24(8-6-23)18(26)14-10-21-22-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,21,22)
InChIKeyQSWQLUXHIKXPGW-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.66
Rot. Bonds3

About 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one

3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897276) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897276
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one
SMILESCC(C)n1cnc2cc(N3CCN(C(=O)c4cn[nH]c4)CC3)ccc2c1=O
InChIInChI=1S/C19H22N6O2/c1-13(2)25-12-20-17-9-15(3-4-16(17)19(25)27)23-5-7-24(8-6-23)18(26)14-10-21-22-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,21,22)
InChIKeyQSWQLUXHIKXPGW-UHFFFAOYSA-N
XLogP1.66
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897294
7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897247
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
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
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60787653
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-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one (CID 126897276) is 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one is CC(C)n1cnc2cc(N3CCN(C(=O)c4cn[nH]c4)CC3)ccc2c1=O.
What is the InChIKey of 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is QSWQLUXHIKXPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-13(2)25-12-20-17-9-15(3-4-16(17)19(25)27)23-5-7-24(8-6-23)18(26)14-10-21-22-11-14/h3-4,9-13H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one?
3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 366.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).