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

C22H26N4O3 — CID 118796628

IUPAC1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESCOc1cccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-28-19-6-4-5-17(13-19)26-11-9-25(10-12-26)14-18(27)15-29-22-20-7-2-3-8-21(20)23-16-24-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3
InChIKeyNQWHKZFLRJPUMS-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.20
Rot. Bonds7

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

1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796628) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796628
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESCOc1cccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c1
InChIInChI=1S/C22H26N4O3/c1-28-19-6-4-5-17(13-19)26-11-9-25(10-12-26)14-18(27)15-29-22-20-7-2-3-8-21(20)23-16-24-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3
InChIKeyNQWHKZFLRJPUMS-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-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (CID 118796628) is 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is COc1cccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is NQWHKZFLRJPUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-28-19-6-4-5-17(13-19)26-11-9-25(10-12-26)14-18(27)15-29-22-20-7-2-3-8-21(20)23-16-24-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
1-[4-(3-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-(3-methoxyphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).