3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one

C22H26N4O2 — CID 45482881

IUPAC3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESCOc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H26N4O2/c1-28-21-10-5-4-9-20(21)25-15-13-24(14-16-25)11-6-12-26-17-23-19-8-3-2-7-18(19)22(26)27/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeySAEHJLWUBHWWAI-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.62
Rot. Bonds6

About 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one

3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one (PubChem CID 45482881) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one
PubChem CID45482881
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one
SMILESCOc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H26N4O2/c1-28-21-10-5-4-9-20(21)25-15-13-24(14-16-25)11-6-12-26-17-23-19-8-3-2-7-18(19)22(26)27/h2-5,7-10,17H,6,11-16H2,1H3
InChIKeySAEHJLWUBHWWAI-UHFFFAOYSA-N
XLogP2.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one (CID 45482881) is 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one is COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one?
The InChIKey is SAEHJLWUBHWWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-21-10-5-4-9-20(21)25-15-13-24(14-16-25)11-6-12-26-17-23-19-8-3-2-7-18(19)22(26)27/h2-5,7-10,17H,6,11-16H2,1H3.
What are the key properties of 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one?
3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one has a molecular weight of 378.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 45482881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).