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

C20H22N4O — CID 135952975

IUPAC2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c1-15(19-21-18-10-6-5-9-17(18)20(25)22-19)23-11-13-24(14-12-23)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,22,25)
InChIKeyWOMYRFWVKSGVQS-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.81
Rot. Bonds3

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

2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one (PubChem CID 135952975) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
PubChem CID135952975
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c1-15(19-21-18-10-6-5-9-17(18)20(25)22-19)23-11-13-24(14-12-23)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,22,25)
InChIKeyWOMYRFWVKSGVQS-UHFFFAOYSA-N
XLogP2.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135620653
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
2-[(1S)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135722471
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
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-(3-oxopiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135997912
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
2-[(1R)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136892706
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135890785

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one (CID 135952975) is 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one is CC(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
The InChIKey is WOMYRFWVKSGVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(19-21-18-10-6-5-9-17(18)20(25)22-19)23-11-13-24(14-12-23)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,21,22,25).
What are the key properties of 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one?
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one has a molecular weight of 334.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135952975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).