3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one

C21H24N4O2 — CID 11559627

IUPAC3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
SMILESCCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3
InChIKeyOBWOSMGNXYUDFB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.19
Rot. Bonds5

About 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one

3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one (PubChem CID 11559627) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
PubChem CID11559627
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
SMILESCCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O
InChIInChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3
InChIKeyOBWOSMGNXYUDFB-UHFFFAOYSA-N
XLogP2.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one (CID 11559627) is 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one is CCOc1ccccc1-n1c(CN2CCNCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one?
The InChIKey is OBWOSMGNXYUDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-27-19-10-6-5-9-18(19)25-20(15-24-13-11-22-12-14-24)23-17-8-4-3-7-16(17)21(25)26/h3-10,22H,2,11-15H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one?
3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 11559627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).