7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C19H24N6O2 — CID 126897457

IUPAC7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(c1ncno1)N1CCN(c2ccc3c(=O)n(C(C)C)cnc3c2)CC1
InChIInChI=1S/C19H24N6O2/c1-13(2)25-12-21-17-10-15(4-5-16(17)19(25)26)24-8-6-23(7-9-24)14(3)18-20-11-22-27-18/h4-5,10-14H,6-9H2,1-3H3
InChIKeyUEVZLSXGMHABIP-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.24
Rot. Bonds4

About 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897457) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897457
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCC(c1ncno1)N1CCN(c2ccc3c(=O)n(C(C)C)cnc3c2)CC1
InChIInChI=1S/C19H24N6O2/c1-13(2)25-12-21-17-10-15(4-5-16(17)19(25)26)24-8-6-23(7-9-24)14(3)18-20-11-22-27-18/h4-5,10-14H,6-9H2,1-3H3
InChIKeyUEVZLSXGMHABIP-UHFFFAOYSA-N
XLogP2.24
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one with MolForge

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Related Compounds

3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-[6-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897381
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-(4-cyclopentylpiperazin-1-yl)-3-propan-2-ylquinazolin-4-one
CID 126897338
7-[4-(2-hydroxycyclobutyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897590
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
7-[4-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897479
3-propan-2-yl-7-(4-quinoxalin-2-ylpiperazin-1-yl)quinazolin-4-one
CID 126897557
3-propan-2-yl-7-(4-pyrazolo[1,5-a]pyrazin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897369
7-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897363
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-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897389

Frequently Asked Questions

What is the IUPAC name of 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897457) is 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is CC(c1ncno1)N1CCN(c2ccc3c(=O)n(C(C)C)cnc3c2)CC1.
What is the InChIKey of 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is UEVZLSXGMHABIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13(2)25-12-21-17-10-15(4-5-16(17)19(25)26)24-8-6-23(7-9-24)14(3)18-20-11-22-27-18/h4-5,10-14H,6-9H2,1-3H3.
What are the key properties of 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 368.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).