[1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone

C31H30N2O4 — CID 57083820

IUPAC[1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone
SMILESO=C(c1cccc2c1Oc1ccccc1C2)C1CCN(CC(O)COc2ccc3ccccc3n2)CC1
InChIInChI=1S/C31H30N2O4/c34-25(20-36-29-13-12-21-6-1-3-10-27(21)32-29)19-33-16-14-22(15-17-33)30(35)26-9-5-8-24-18-23-7-2-4-11-28(23)37-31(24)26/h1-13,22,25,34H,14-20H2
InChIKeyJJBFQVNGCDAJCN-UHFFFAOYSA-N
MW494.59 g/mol
LogP5.27
Rot. Bonds7

About [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone

[1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone (PubChem CID 57083820) has the molecular formula C31H30N2O4 and a molecular weight of 494.59 g/mol. Its IUPAC name is [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone
PubChem CID57083820
Molecular FormulaC31H30N2O4
Molecular Weight494.59 g/mol
Exact Mass494.22
IUPAC Name[1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone
SMILESO=C(c1cccc2c1Oc1ccccc1C2)C1CCN(CC(O)COc2ccc3ccccc3n2)CC1
InChIInChI=1S/C31H30N2O4/c34-25(20-36-29-13-12-21-6-1-3-10-27(21)32-29)19-33-16-14-22(15-17-33)30(35)26-9-5-8-24-18-23-7-2-4-11-28(23)37-31(24)26/h1-13,22,25,34H,14-20H2
InChIKeyJJBFQVNGCDAJCN-UHFFFAOYSA-N
XLogP5.27
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone with MolForge

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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-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
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 87022270
1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
CID 18727458
1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
CID 68574034
4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 55504363
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882096
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone?
The IUPAC name of [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone (CID 57083820) is [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone.
What is the SMILES notation for [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone?
The canonical SMILES for [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone is O=C(c1cccc2c1Oc1ccccc1C2)C1CCN(CC(O)COc2ccc3ccccc3n2)CC1.
What is the InChIKey of [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone?
The InChIKey is JJBFQVNGCDAJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O4/c34-25(20-36-29-13-12-21-6-1-3-10-27(21)32-29)19-33-16-14-22(15-17-33)30(35)26-9-5-8-24-18-23-7-2-4-11-28(23)37-31(24)26/h1-13,22,25,34H,14-20H2.
What are the key properties of [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone?
[1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone has a molecular weight of 494.59 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxy-3-quinolin-2-yloxypropyl)piperidin-4-yl]-(9H-xanthen-4-yl)methanone is sourced from PubChem (CID 57083820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).