8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one

C22H25N3O3 — CID 118712409

IUPAC8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
SMILESCOc1cc(Cn2c(=O)ccc3cccc(OC)c32)cc(N2CCNCC2)c1
InChIInChI=1S/C22H25N3O3/c1-27-19-13-16(12-18(14-19)24-10-8-23-9-11-24)15-25-21(26)7-6-17-4-3-5-20(28-2)22(17)25/h3-7,12-14,23H,8-11,15H2,1-2H3
InChIKeyWLLRXNVTPJHKPX-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.48
Rot. Bonds5

About 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one

8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one (PubChem CID 118712409) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
PubChem CID118712409
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
SMILESCOc1cc(Cn2c(=O)ccc3cccc(OC)c32)cc(N2CCNCC2)c1
InChIInChI=1S/C22H25N3O3/c1-27-19-13-16(12-18(14-19)24-10-8-23-9-11-24)15-25-21(26)7-6-17-4-3-5-20(28-2)22(17)25/h3-7,12-14,23H,8-11,15H2,1-2H3
InChIKeyWLLRXNVTPJHKPX-UHFFFAOYSA-N
XLogP2.48
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
CID 10473020
1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one
CID 10342481
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-[3-[2-(7-methoxynaphthalen-1-yl)ethyl]phenyl]piperazine
CID 144945805
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
1-(8-ethoxynaphthalen-2-yl)piperazine
CID 22636200
1-[3-chloro-5-[(4-methoxyphenyl)methoxy]phenyl]piperazine
CID 18545431
3-methoxy-5-piperazin-1-ylbenzonitrile
CID 139600905
1-butyl-6-piperazin-1-ylquinolin-2-one
CID 117099735
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
The IUPAC name of 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one (CID 118712409) is 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one is COc1cc(Cn2c(=O)ccc3cccc(OC)c32)cc(N2CCNCC2)c1.
What is the InChIKey of 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
The InChIKey is WLLRXNVTPJHKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-19-13-16(12-18(14-19)24-10-8-23-9-11-24)15-25-21(26)7-6-17-4-3-5-20(28-2)22(17)25/h3-7,12-14,23H,8-11,15H2,1-2H3.
What are the key properties of 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 118712409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).