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

C22H22N2O2 — CID 2711802

IUPAC[2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)23-21)22(25)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyOVZCYKHHDTYUOO-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.54
Rot. Bonds3

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

[2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 2711802) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
PubChem CID2711802
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-26-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)23-21)22(25)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyOVZCYKHHDTYUOO-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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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone (CID 2711802) is [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OVZCYKHHDTYUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-26-17-11-9-16(10-12-17)21-15-19(18-7-3-4-8-20(18)23-21)22(25)24-13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone?
[2-(4-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-(4-methoxyphenyl)quinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2711802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).