2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one

C14H16N4O2 — CID 135997912

IUPAC2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCNC(=O)C1
InChIInChI=1S/C14H16N4O2/c1-9(18-7-6-15-12(19)8-18)13-16-11-5-3-2-4-10(11)14(20)17-13/h2-5,9H,6-8H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyCZVXGNAGGMKXKW-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.42
Rot. Bonds2

About 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one

2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one (PubChem CID 135997912) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
PubChem CID135997912
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCNC(=O)C1
InChIInChI=1S/C14H16N4O2/c1-9(18-7-6-15-12(19)8-18)13-16-11-5-3-2-4-10(11)14(20)17-13/h2-5,9H,6-8H2,1H3,(H,15,19)(H,16,17,20)
InChIKeyCZVXGNAGGMKXKW-UHFFFAOYSA-N
XLogP0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3H-quinazolin-4-one
CID 136733854
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[1-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3H-quinazolin-4-one
CID 137205793
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
2-[1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-3H-quinazolin-4-one
CID 137270981
2-[1-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136527132
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one (CID 135997912) is 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one is CC(c1nc2ccccc2c(=O)[nH]1)N1CCNC(=O)C1.
What is the InChIKey of 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
The InChIKey is CZVXGNAGGMKXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9(18-7-6-15-12(19)8-18)13-16-11-5-3-2-4-10(11)14(20)17-13/h2-5,9H,6-8H2,1H3,(H,15,19)(H,16,17,20).
What are the key properties of 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135997912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).