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

C21H23ClN4O2 — CID 118796622

IUPAC1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESOC(COc1ncnc2ccccc12)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN4O2/c22-18-6-2-4-8-20(18)26-11-9-25(10-12-26)13-16(27)14-28-21-17-5-1-3-7-19(17)23-15-24-21/h1-8,15-16,27H,9-14H2
InChIKeyFDSOODAZYPJSDK-UHFFFAOYSA-N
MW398.89 g/mol
LogP2.85
Rot. Bonds6

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

1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (PubChem CID 118796622) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
PubChem CID118796622
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol
SMILESOC(COc1ncnc2ccccc12)CN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClN4O2/c22-18-6-2-4-8-20(18)26-11-9-25(10-12-26)13-16(27)14-28-21-17-5-1-3-7-19(17)23-15-24-21/h1-8,15-16,27H,9-14H2
InChIKeyFDSOODAZYPJSDK-UHFFFAOYSA-N
XLogP2.85
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The IUPAC name of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol (CID 118796622) is 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is OC(COc1ncnc2ccccc12)CN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
The InChIKey is FDSOODAZYPJSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-18-6-2-4-8-20(18)26-11-9-25(10-12-26)13-16(27)14-28-21-17-5-1-3-7-19(17)23-15-24-21/h1-8,15-16,27H,9-14H2.
What are the key properties of 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol?
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol has a molecular weight of 398.89 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)piperazin-1-yl]-3-quinazolin-4-yloxypropan-2-ol is sourced from PubChem (CID 118796622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).