4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one

C24H26BrN3O2 — CID 154950710

IUPAC4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCOc2ccc(-c3ccc4cc(Br)ccc4n3)cc2)CC1=O
InChIInChI=1S/C24H26BrN3O2/c1-2-11-28-13-12-27(17-24(28)29)14-15-30-21-7-3-18(4-8-21)22-9-5-19-16-20(25)6-10-23(19)26-22/h3-10,16H,2,11-15,17H2,1H3
InChIKeyCCXOQDUHFQBISY-UHFFFAOYSA-N
MW468.40 g/mol
LogP4.60
Rot. Bonds7

About 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one

4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one (PubChem CID 154950710) has the molecular formula C24H26BrN3O2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one
PubChem CID154950710
Molecular FormulaC24H26BrN3O2
Molecular Weight468.40 g/mol
Exact Mass467.12
IUPAC Name4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one
SMILESCCCN1CCN(CCOc2ccc(-c3ccc4cc(Br)ccc4n3)cc2)CC1=O
InChIInChI=1S/C24H26BrN3O2/c1-2-11-28-13-12-27(17-24(28)29)14-15-30-21-7-3-18(4-8-21)22-9-5-19-16-20(25)6-10-23(19)26-22/h3-10,16H,2,11-15,17H2,1H3
InChIKeyCCXOQDUHFQBISY-UHFFFAOYSA-N
XLogP4.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[2-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
CID 163411021
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
4-[2-[4-[2-[(2R)-2,4-dimethyl-3-oxo-1,4-diazepan-1-yl]ethoxy]phenyl]quinolin-6-yl]-2-methyl-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[6-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]quinolin-2-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-propylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one;2-methyl-4-[2-[4-[2-(3-oxo-4-prop-2-ynylpiperazin-1-yl)ethoxy]phenyl]quinolin-6-yl]-7H-cyclopenta[c]pyridin-1-one
CID 163896731
6-methoxy-2-(4-propoxyphenyl)quinoline
CID 102441525
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
4-[2-(4-bromophenoxy)ethyl]-1,4-diazepan-2-one
CID 62898000
2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
4-[2-(4-quinoxalin-6-ylphenoxy)ethyl]piperazin-2-one
CID 167850022
4-[2-[4-[2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]ethoxy]phenyl]quinolin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 148931791
potassium 6-bromo-2-(4-butoxyphenyl)quinoline-4-carboxylate
CID 23711749
4-[2-(4-ethoxyphenoxy)ethyl]piperazin-2-one
CID 8962129
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one?
The IUPAC name of 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one (CID 154950710) is 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one.
What is the SMILES notation for 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one?
The canonical SMILES for 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one is CCCN1CCN(CCOc2ccc(-c3ccc4cc(Br)ccc4n3)cc2)CC1=O.
What is the InChIKey of 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one?
The InChIKey is CCXOQDUHFQBISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O2/c1-2-11-28-13-12-27(17-24(28)29)14-15-30-21-7-3-18(4-8-21)22-9-5-19-16-20(25)6-10-23(19)26-22/h3-10,16H,2,11-15,17H2,1H3.
What are the key properties of 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one?
4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one has a molecular weight of 468.40 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(6-bromoquinolin-2-yl)phenoxy]ethyl]-1-propylpiperazin-2-one is sourced from PubChem (CID 154950710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).