1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol

C22H26N4O3 — CID 118796627

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)COc2ncnc3ccccc23)CC1
InChIInChI=1S/C22H26N4O3/c1-28-21-9-5-4-8-20(21)26-12-10-25(11-13-26)14-17(27)15-29-22-18-6-2-3-7-19(18)23-16-24-22/h2-9,16-17,27H,10-15H2,1H3
InChIKeyXTGBRYIIOQFQBY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.20
Rot. Bonds7

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796627) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796627
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)COc2ncnc3ccccc23)CC1
InChIInChI=1S/C22H26N4O3/c1-28-21-9-5-4-8-20(21)26-12-10-25(11-13-26)14-17(27)15-29-22-18-6-2-3-7-19(18)23-16-24-22/h2-9,16-17,27H,10-15H2,1H3
InChIKeyXTGBRYIIOQFQBY-UHFFFAOYSA-N
XLogP2.20
TPSA70.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (CID 118796627) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is COc1ccccc1N1CCN(CC(O)COc2ncnc3ccccc23)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is XTGBRYIIOQFQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-28-21-9-5-4-8-20(21)26-12-10-25(11-13-26)14-17(27)15-29-22-18-6-2-3-7-19(18)23-16-24-22/h2-9,16-17,27H,10-15H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol has a molecular weight of 394.48 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).