[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone

C36H41N3O3 — CID 90670616

IUPAC[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C36H41N3O3/c40-36(29-13-17-32(18-14-29)42-26-24-39-21-7-2-8-22-39)35-33(27-30-9-3-4-10-34(30)37-35)28-11-15-31(16-12-28)41-25-23-38-19-5-1-6-20-38/h3-4,9-18,27H,1-2,5-8,19-26H2
InChIKeyHYJHCASGUGVQPT-UHFFFAOYSA-N
MW563.74 g/mol
LogP6.86
Rot. Bonds11

About [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone

[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone (PubChem CID 90670616) has the molecular formula C36H41N3O3 and a molecular weight of 563.74 g/mol. Its IUPAC name is [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
PubChem CID90670616
Molecular FormulaC36H41N3O3
Molecular Weight563.74 g/mol
Exact Mass563.31
IUPAC Name[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C36H41N3O3/c40-36(29-13-17-32(18-14-29)42-26-24-39-21-7-2-8-22-39)35-33(27-30-9-3-4-10-34(30)37-35)28-11-15-31(16-12-28)41-25-23-38-19-5-1-6-20-38/h3-4,9-18,27H,1-2,5-8,19-26H2
InChIKeyHYJHCASGUGVQPT-UHFFFAOYSA-N
XLogP6.86
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
The IUPAC name of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone (CID 90670616) is [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone.
What is the SMILES notation for [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
The canonical SMILES for [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone is O=C(c1ccc(OCCN2CCCCC2)cc1)c1nc2ccccc2cc1-c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
The InChIKey is HYJHCASGUGVQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N3O3/c40-36(29-13-17-32(18-14-29)42-26-24-39-21-7-2-8-22-39)35-33(27-30-9-3-4-10-34(30)37-35)28-11-15-31(16-12-28)41-25-23-38-19-5-1-6-20-38/h3-4,9-18,27H,1-2,5-8,19-26H2.
What are the key properties of [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone?
[4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone has a molecular weight of 563.74 g/mol, XLogP of 6.86, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-piperidin-1-ylethoxy)phenyl]-[3-[4-(2-piperidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone is sourced from PubChem (CID 90670616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).