2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone

C24H26N2O3 — CID 170511844

IUPAC2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone
SMILESCc1cc(-c2ccc(OCC(=O)N3CCCCC3)cc2)nc2cc(CO)ccc12
InChIInChI=1S/C24H26N2O3/c1-17-13-22(25-23-14-18(15-27)5-10-21(17)23)19-6-8-20(9-7-19)29-16-24(28)26-11-3-2-4-12-26/h5-10,13-14,27H,2-4,11-12,15-16H2,1H3
InChIKeyYRUNEBLFGPUAEN-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.09
Rot. Bonds5

About 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone

2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 170511844) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID170511844
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone
SMILESCc1cc(-c2ccc(OCC(=O)N3CCCCC3)cc2)nc2cc(CO)ccc12
InChIInChI=1S/C24H26N2O3/c1-17-13-22(25-23-14-18(15-27)5-10-21(17)23)19-6-8-20(9-7-19)29-16-24(28)26-11-3-2-4-12-26/h5-10,13-14,27H,2-4,11-12,15-16H2,1H3
InChIKeyYRUNEBLFGPUAEN-UHFFFAOYSA-N
XLogP4.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-[4-(6-methyl-4-phenylquinolin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 39860435
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
ethane;2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone;4-(trifluoromethyl)phenol
CID 164906069
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
4-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)-6-phenylpyridine-3-carbonitrile
CID 10449619
methyl N-[2-[4-(2-amino-2-oxoethoxy)phenyl]-4-methylquinolin-7-yl]carbamate
CID 169421328
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 110798942

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone (CID 170511844) is 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone is Cc1cc(-c2ccc(OCC(=O)N3CCCCC3)cc2)nc2cc(CO)ccc12.
What is the InChIKey of 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is YRUNEBLFGPUAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17-13-22(25-23-14-18(15-27)5-10-21(17)23)19-6-8-20(9-7-19)29-16-24(28)26-11-3-2-4-12-26/h5-10,13-14,27H,2-4,11-12,15-16H2,1H3.
What are the key properties of 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone?
2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 390.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 170511844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).