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

C23H28N4O2 — CID 118796633

IUPAC1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESCc1ccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-17-7-8-22(18(2)13-17)27-11-9-26(10-12-27)14-19(28)15-29-23-20-5-3-4-6-21(20)24-16-25-23/h3-8,13,16,19,28H,9-12,14-15H2,1-2H3
InChIKeyXXURFXAKIUOJDN-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.81
Rot. Bonds6

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

1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796633) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796633
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESCc1ccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c(C)c1
InChIInChI=1S/C23H28N4O2/c1-17-7-8-22(18(2)13-17)27-11-9-26(10-12-27)14-19(28)15-29-23-20-5-3-4-6-21(20)24-16-25-23/h3-8,13,16,19,28H,9-12,14-15H2,1-2H3
InChIKeyXXURFXAKIUOJDN-UHFFFAOYSA-N
XLogP2.81
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (CID 118796633) is 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is Cc1ccc(N2CCN(CC(O)COc3ncnc4ccccc34)CC2)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is XXURFXAKIUOJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-7-8-22(18(2)13-17)27-11-9-26(10-12-27)14-19(28)15-29-23-20-5-3-4-6-21(20)24-16-25-23/h3-8,13,16,19,28H,9-12,14-15H2,1-2H3.
What are the key properties of 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol has a molecular weight of 392.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).