phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone

C35H32N2O2 — CID 24955158

IUPACphenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cc1
InChIInChI=1S/C35H32N2O2/c38-34(27-11-5-2-6-12-27)28-16-14-25(15-17-28)29-18-19-33-31(23-29)35(39-22-20-30-13-7-8-21-36-30)32(24-37-33)26-9-3-1-4-10-26/h1-6,9-12,14-19,23-24,30,36H,7-8,13,20-22H2
InChIKeyYGZOEBRRCITAFF-UHFFFAOYSA-N
MW512.65 g/mol
LogP7.71
Rot. Bonds8

About phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone

phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone (PubChem CID 24955158) has the molecular formula C35H32N2O2 and a molecular weight of 512.65 g/mol. Its IUPAC name is phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone
PubChem CID24955158
Molecular FormulaC35H32N2O2
Molecular Weight512.65 g/mol
Exact Mass512.25
IUPAC Namephenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cc1
InChIInChI=1S/C35H32N2O2/c38-34(27-11-5-2-6-12-27)28-16-14-25(15-17-28)29-18-19-33-31(23-29)35(39-22-20-30-13-7-8-21-36-30)32(24-37-33)26-9-3-1-4-10-26/h1-6,9-12,14-19,23-24,30,36H,7-8,13,20-22H2
InChIKeyYGZOEBRRCITAFF-UHFFFAOYSA-N
XLogP7.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(4-fluorophenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 74372586
3-phenyl-4-(2-piperidin-2-ylethoxy)-6-[4-(trifluoromethoxy)phenyl]quinoline
CID 24951601
6-(6-methoxy-3-pyridinyl)-3-phenyl-4-(2-piperidin-2-ylethoxy)quinoline
CID 24955160
7-chloro-3-(3,5-dimethylphenyl)-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinoline
CID 143661136
7-chloro-3-(3,5-dimethylphenyl)-4-[2-[(2S)-piperidin-2-yl]ethoxy]-6-pyridin-3-ylquinoline
CID 24953384
[3-[7-chloro-6-(3-methylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-3-yl]phenyl]methanol
CID 143661146
N-[3-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]acetamide
CID 24956597
(2S)-2-[2-(4-phenylphenoxy)ethyl]piperidine
CID 28749943
(2S)-2-[2-(3-phenylphenoxy)ethyl]piperidine
CID 59752871
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
4-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]benzonitrile
CID 24955522
2-[7-chloro-3-(3,5-dimethylphenyl)-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]aniline
CID 89271599

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone?
The IUPAC name of phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone (CID 24955158) is phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone is O=C(c1ccccc1)c1ccc(-c2ccc3ncc(-c4ccccc4)c(OCCC4CCCCN4)c3c2)cc1.
What is the InChIKey of phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone?
The InChIKey is YGZOEBRRCITAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O2/c38-34(27-11-5-2-6-12-27)28-16-14-25(15-17-28)29-18-19-33-31(23-29)35(39-22-20-30-13-7-8-21-36-30)32(24-37-33)26-9-3-1-4-10-26/h1-6,9-12,14-19,23-24,30,36H,7-8,13,20-22H2.
What are the key properties of phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone?
phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone has a molecular weight of 512.65 g/mol, XLogP of 7.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[3-phenyl-4-(2-piperidin-2-ylethoxy)quinolin-6-yl]phenyl]methanone is sourced from PubChem (CID 24955158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).