1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol

C31H33N3O3 — CID 57132327

IUPAC1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc2ccccc2n1)CN1CCN(OC2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C31H33N3O3/c35-26(22-36-30-16-15-25-9-3-6-12-29(25)32-30)21-33-17-19-34(20-18-33)37-31-27-10-4-1-7-23(27)13-14-24-8-2-5-11-28(24)31/h1-12,15-16,26,31,35H,13-14,17-22H2
InChIKeyIAWOYUKYRUEYNM-UHFFFAOYSA-N
MW495.62 g/mol
LogP4.41
Rot. Bonds7

About 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol

1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol (PubChem CID 57132327) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol
PubChem CID57132327
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc2ccccc2n1)CN1CCN(OC2c3ccccc3CCc3ccccc32)CC1
InChIInChI=1S/C31H33N3O3/c35-26(22-36-30-16-15-25-9-3-6-12-29(25)32-30)21-33-17-19-34(20-18-33)37-31-27-10-4-1-7-23(27)13-14-24-8-2-5-11-28(24)31/h1-12,15-16,26,31,35H,13-14,17-22H2
InChIKeyIAWOYUKYRUEYNM-UHFFFAOYSA-N
XLogP4.41
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol (CID 57132327) is 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol is OC(COc1ccc2ccccc2n1)CN1CCN(OC2c3ccccc3CCc3ccccc32)CC1.
What is the InChIKey of 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol?
The InChIKey is IAWOYUKYRUEYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3/c35-26(22-36-30-16-15-25-9-3-6-12-29(25)32-30)21-33-17-19-34(20-18-33)37-31-27-10-4-1-7-23(27)13-14-24-8-2-5-11-28(24)31/h1-12,15-16,26,31,35H,13-14,17-22H2.
What are the key properties of 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol?
1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol has a molecular weight of 495.62 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 57132327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).