3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one

C18H22N4O2 — CID 157013903

IUPAC3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESCC1CN(C2CC2)CCN1C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H22N4O2/c1-13-10-20(14-6-7-14)8-9-22(13)17(23)11-21-12-19-16-5-3-2-4-15(16)18(21)24/h2-5,12-14H,6-11H2,1H3
InChIKeyVAXRXOLFHFLETB-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.09
Rot. Bonds3

About 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one

3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one (PubChem CID 157013903) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
PubChem CID157013903
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one
SMILESCC1CN(C2CC2)CCN1C(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C18H22N4O2/c1-13-10-20(14-6-7-14)8-9-22(13)17(23)11-21-12-19-16-5-3-2-4-15(16)18(21)24/h2-5,12-14H,6-11H2,1H3
InChIKeyVAXRXOLFHFLETB-UHFFFAOYSA-N
XLogP1.09
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[2-oxo-2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)ethyl]quinazolin-4-one
CID 122272666
3-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]quinazolin-4-one
CID 72926465
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
3-[2-[5-[2-(1,4-dimethylpyrazol-5-yl)acetyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]-2-oxoethyl]quinazolin-4-one
CID 166384901
3-[2-oxo-2-(2-phenyl-1,3-thiazolidin-3-yl)ethyl]quinazolin-4-one
CID 122329221
(3R,4R)-4-cyclopropyl-1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120979644
3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121021849
3-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
CID 97117905
3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159971
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one (CID 157013903) is 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one is CC1CN(C2CC2)CCN1C(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
The InChIKey is VAXRXOLFHFLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-10-20(14-6-7-14)8-9-22(13)17(23)11-21-12-19-16-5-3-2-4-15(16)18(21)24/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one?
3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one has a molecular weight of 326.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopropyl-2-methylpiperazin-1-yl)-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 157013903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).