[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone

C22H22N2O2 — CID 896066

IUPAC[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O2/c1-26-17-9-7-8-16(14-17)21-15-19(18-10-3-4-11-20(18)23-21)22(25)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3
InChIKeyXTVPUBYNBIOJCN-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.54
Rot. Bonds3

About [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone

[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 896066) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID896066
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1
InChIInChI=1S/C22H22N2O2/c1-26-17-9-7-8-16(14-17)21-15-19(18-10-3-4-11-20(18)23-21)22(25)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3
InChIKeyXTVPUBYNBIOJCN-UHFFFAOYSA-N
XLogP4.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 4256561
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
piperidin-1-yl-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 25179508
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
1,4-diazepan-1-yl-[2-(4-methoxyphenyl)quinolin-4-yl]methanone;dihydrochloride
CID 119415935
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
[4-(piperidine-1-carbonyl)piperazin-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone
CID 24610413
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
[6-bromo-2-(3-methoxyphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 2965405
[2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl]-morpholin-4-ylmethanone
CID 1023123
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
piperidin-1-yl-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 42749462

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone (CID 896066) is [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone is COc1cccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is XTVPUBYNBIOJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-17-9-7-8-16(14-17)21-15-19(18-10-3-4-11-20(18)23-21)22(25)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
[2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 896066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).