3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one

C18H26N4O2 — CID 3250873

IUPAC3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N1CCNCC1
InChIInChI=1S/C18H26N4O2/c1-3-16(21-10-8-19-9-11-21)17-20-15-7-5-4-6-14(15)18(23)22(17)12-13-24-2/h4-7,16,19H,3,8-13H2,1-2H3
InChIKeyPHLDKYOLJSHXEJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.40
Rot. Bonds6

About 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one

3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one (PubChem CID 3250873) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
PubChem CID3250873
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N1CCNCC1
InChIInChI=1S/C18H26N4O2/c1-3-16(21-10-8-19-9-11-21)17-20-15-7-5-4-6-14(15)18(23)22(17)12-13-24-2/h4-7,16,19H,3,8-13H2,1-2H3
InChIKeyPHLDKYOLJSHXEJ-UHFFFAOYSA-N
XLogP1.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one (CID 3250873) is 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1CCOC)N1CCNCC1.
What is the InChIKey of 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
The InChIKey is PHLDKYOLJSHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-16(21-10-8-19-9-11-21)17-20-15-7-5-4-6-14(15)18(23)22(17)12-13-24-2/h4-7,16,19H,3,8-13H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one?
3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one has a molecular weight of 330.43 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-(1-piperazin-1-ylpropyl)quinazolin-4-one is sourced from PubChem (CID 3250873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).