4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline

C26H26N4O — CID 22330526

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
SMILESCOc1ccccc1N1CCN(c2nc(-c3cccc(C)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H26N4O/c1-19-8-7-9-20(18-19)25-27-22-11-4-3-10-21(22)26(28-25)30-16-14-29(15-17-30)23-12-5-6-13-24(23)31-2/h3-13,18H,14-17H2,1-2H3
InChIKeyGETJZTSBIFCUCI-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.94
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline

4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline (PubChem CID 22330526) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
PubChem CID22330526
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline
SMILESCOc1ccccc1N1CCN(c2nc(-c3cccc(C)c3)nc3ccccc23)CC1
InChIInChI=1S/C26H26N4O/c1-19-8-7-9-20(18-19)25-27-22-11-4-3-10-21(22)26(28-25)30-16-14-29(15-17-30)23-12-5-6-13-24(23)31-2/h3-13,18H,14-17H2,1-2H3
InChIKeyGETJZTSBIFCUCI-UHFFFAOYSA-N
XLogP4.94
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline (CID 22330526) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline is COc1ccccc1N1CCN(c2nc(-c3cccc(C)c3)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
The InChIKey is GETJZTSBIFCUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-19-8-7-9-20(18-19)25-27-22-11-4-3-10-21(22)26(28-25)30-16-14-29(15-17-30)23-12-5-6-13-24(23)31-2/h3-13,18H,14-17H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline has a molecular weight of 410.52 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenyl)quinazoline is sourced from PubChem (CID 22330526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).