cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride

C30H36ClN3O3 — CID 156702483

IUPACcyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCC(Oc2ccc(-c3ccc4cccnc4c3OCCN3CCCC3)cc2)CC1
InChIInChI=1S/C30H35N3O3.ClH/c34-30(24-5-6-24)33-18-13-26(14-19-33)36-25-10-7-22(8-11-25)27-12-9-23-4-3-15-31-28(23)29(27)35-21-20-32-16-1-2-17-32;/h3-4,7-12,15,24,26H,1-2,5-6,13-14,16-21H2;1H
InChIKeySPPJNLFAAOMECS-UHFFFAOYSA-N
MW522.09 g/mol
LogP5.58
Rot. Bonds8

About cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride

cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride (PubChem CID 156702483) has the molecular formula C30H36ClN3O3 and a molecular weight of 522.09 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride
PubChem CID156702483
Molecular FormulaC30H36ClN3O3
Molecular Weight522.09 g/mol
Exact Mass521.24
IUPAC Namecyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCC(Oc2ccc(-c3ccc4cccnc4c3OCCN3CCCC3)cc2)CC1
InChIInChI=1S/C30H35N3O3.ClH/c34-30(24-5-6-24)33-18-13-26(14-19-33)36-25-10-7-22(8-11-25)27-12-9-23-4-3-15-31-28(23)29(27)35-21-20-32-16-1-2-17-32;/h3-4,7-12,15,24,26H,1-2,5-6,13-14,16-21H2;1H
InChIKeySPPJNLFAAOMECS-UHFFFAOYSA-N
XLogP5.58
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.09
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
CID 142800445
cyclopropyl-[4-[4-(6-methoxyquinolin-7-yl)phenoxy]piperidin-1-yl]methanone
CID 155010934
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702415
1-[4-[4-[6-(2-pyrrolidin-1-ylethylamino)quinolin-7-yl]phenoxy]piperidin-1-yl]propan-1-one
CID 155010954
1-methylpyrrolidine;4-[4-(8-methylquinolin-7-yl)phenoxy]piperidine-1-carbaldehyde
CID 145214187
cyclopropyl-[4-[2-[4-(1H-pyrazol-5-yl)phenoxy]ethyl]piperazin-1-yl]methanone
CID 10315209
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
4-[4-(5-methylimidazo[1,2-a]pyridin-6-yl)phenoxy]piperidine-1-carboxamide;[(2S)-1-methylpyrrolidin-2-yl]-[4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;[(2R)-1-methylpyrrolidin-2-yl]-[4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone
CID 175127712
1-[(2S,4S)-2-methyl-4-[4-(8-methylquinolin-7-yl)phenoxy]piperidin-1-yl]butan-1-one
CID 134285845
[4-[(3-bromo-2-pyridinyl)oxy]piperidin-1-yl]-cyclopropylmethanone
CID 71799453
cyclopropyl-[4-[4-(3-methylisoquinolin-6-yl)phenoxy]piperidin-1-yl]methanone
CID 163996154
7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
CID 134242877

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride (CID 156702483) is cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride is Cl.O=C(C1CC1)N1CCC(Oc2ccc(-c3ccc4cccnc4c3OCCN3CCCC3)cc2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is SPPJNLFAAOMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3.ClH/c34-30(24-5-6-24)33-18-13-26(14-19-33)36-25-10-7-22(8-11-25)27-12-9-23-4-3-15-31-28(23)29(27)35-21-20-32-16-1-2-17-32;/h3-4,7-12,15,24,26H,1-2,5-6,13-14,16-21H2;1H.
What are the key properties of cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride?
cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 522.09 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 156702483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).