8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one

C25H30ClN3O2 — CID 23330456

IUPAC8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one
SMILESCc1cc(=O)n(C)c2c(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cccc12
InChIInChI=1S/C25H30ClN3O2/c1-19-17-24(30)27(2)25-22(19)5-3-6-23(25)31-16-4-11-28-12-14-29(15-13-28)18-20-7-9-21(26)10-8-20/h3,5-10,17H,4,11-16,18H2,1-2H3
InChIKeySMBVOLSDRQSAEZ-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.09
Rot. Bonds7

About 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one

8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one (PubChem CID 23330456) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one
PubChem CID23330456
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one
SMILESCc1cc(=O)n(C)c2c(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cccc12
InChIInChI=1S/C25H30ClN3O2/c1-19-17-24(30)27(2)25-22(19)5-3-6-23(25)31-16-4-11-28-12-14-29(15-13-28)18-20-7-9-21(26)10-8-20/h3,5-10,17H,4,11-16,18H2,1-2H3
InChIKeySMBVOLSDRQSAEZ-UHFFFAOYSA-N
XLogP4.09
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one
CID 23330452
6-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-7-methoxy-3,4-dimethylchromen-2-one
CID 19927675
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
3-(bromomethyl)-7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methylchromen-2-one
CID 88671369
7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-hydroxychromen-2-one
CID 54710800
6-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 19011810
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066
1-[3-(2-benzylphenoxy)propyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 139743333
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
6-[4-[3-(5-chloro-2-hydroxyphenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 19012018
3-[3-(4-benzylpiperazin-1-yl)propoxy]benzo[c]chromen-6-one;dihydrochloride
CID 90357517
6-[4-[3-(3-chlorophenoxy)propyl]piperazin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 10385868

Frequently Asked Questions

What is the IUPAC name of 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one?
The IUPAC name of 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one (CID 23330456) is 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one?
The canonical SMILES for 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one is Cc1cc(=O)n(C)c2c(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cccc12.
What is the InChIKey of 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one?
The InChIKey is SMBVOLSDRQSAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-19-17-24(30)27(2)25-22(19)5-3-6-23(25)31-16-4-11-28-12-14-29(15-13-28)18-20-7-9-21(26)10-8-20/h3,5-10,17H,4,11-16,18H2,1-2H3.
What are the key properties of 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one?
8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one has a molecular weight of 439.99 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 23330456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).