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

C20H21FN4O — CID 135620653

IUPAC2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O/c1-14(19-22-17-8-4-2-6-15(17)20(26)23-19)24-10-12-25(13-11-24)18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3,(H,22,23,26)
InChIKeyQAOFANGPTZYURG-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.95
Rot. Bonds3

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

2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 135620653) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID135620653
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCC(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H21FN4O/c1-14(19-22-17-8-4-2-6-15(17)20(26)23-19)24-10-12-25(13-11-24)18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3,(H,22,23,26)
InChIKeyQAOFANGPTZYURG-UHFFFAOYSA-N
XLogP2.95
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[(1R)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135954337
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[4-(2-fluorophenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135908349
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-(2,3-dihydroindol-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612968
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
2-[(1R)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethyl]-3H-quinazolin-4-one
CID 135968881

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one (CID 135620653) is 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one is CC(c1nc2ccccc2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is QAOFANGPTZYURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14(19-22-17-8-4-2-6-15(17)20(26)23-19)24-10-12-25(13-11-24)18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3,(H,22,23,26).
What are the key properties of 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 352.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135620653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).