1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol

C32H33N3O2 — CID 57077143

IUPAC1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc2ccccc2n1)CN1CCN(CC2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C32H33N3O2/c36-27(23-37-32-16-15-26-9-3-6-12-31(26)33-32)21-34-17-19-35(20-18-34)22-30-28-10-4-1-7-24(28)13-14-25-8-2-5-11-29(25)30/h1-16,27,30,36H,17-23H2
InChIKeyAGZVYGFJRQKHMA-UHFFFAOYSA-N
MW491.64 g/mol
LogP4.91
Rot. Bonds7

About 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol

1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol (PubChem CID 57077143) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)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),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol
PubChem CID57077143
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Name1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol
SMILESOC(COc1ccc2ccccc2n1)CN1CCN(CC2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C32H33N3O2/c36-27(23-37-32-16-15-26-9-3-6-12-31(26)33-32)21-34-17-19-35(20-18-34)22-30-28-10-4-1-7-24(28)13-14-25-8-2-5-11-29(25)30/h1-16,27,30,36H,17-23H2
InChIKeyAGZVYGFJRQKHMA-UHFFFAOYSA-N
XLogP4.91
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
[1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone
CID 57083820
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 70076254
(2S)-1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-[4-[(2S)-3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 94249691
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744

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),3,5,7,9,11,13-heptaenylmethyl)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),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol (CID 57077143) is 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)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),3,5,7,9,11,13-heptaenylmethyl)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),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol is OC(COc1ccc2ccccc2n1)CN1CCN(CC2c3ccccc3C=Cc3ccccc32)CC1.
What is the InChIKey of 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol?
The InChIKey is AGZVYGFJRQKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c36-27(23-37-32-16-15-26-9-3-6-12-31(26)33-32)21-34-17-19-35(20-18-34)22-30-28-10-4-1-7-24(28)13-14-25-8-2-5-11-29(25)30/h1-16,27,30,36H,17-23H2.
What are the key properties of 1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol?
1-quinolin-2-yloxy-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol has a molecular weight of 491.64 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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),3,5,7,9,11,13-heptaenylmethyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 57077143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).