4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one

C28H27N3O4 — CID 135350064

IUPAC4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one
SMILESCOc1ccc2c(Oc3ccc(N4CCN(Cc5ccccc5)CC4=O)cc3)ccnc2c1OC
InChIInChI=1S/C28H27N3O4/c1-33-25-13-12-23-24(14-15-29-27(23)28(25)34-2)35-22-10-8-21(9-11-22)31-17-16-30(19-26(31)32)18-20-6-4-3-5-7-20/h3-15H,16-19H2,1-2H3
InChIKeyLJVWDEKOKUZNMQ-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.89
Rot. Bonds7

About 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one

4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one (PubChem CID 135350064) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one.

Molecular Properties

Compound Name4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one
PubChem CID135350064
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one
SMILESCOc1ccc2c(Oc3ccc(N4CCN(Cc5ccccc5)CC4=O)cc3)ccnc2c1OC
InChIInChI=1S/C28H27N3O4/c1-33-25-13-12-23-24(14-15-29-27(23)28(25)34-2)35-22-10-8-21(9-11-22)31-17-16-30(19-26(31)32)18-20-6-4-3-5-7-20/h3-15H,16-19H2,1-2H3
InChIKeyLJVWDEKOKUZNMQ-UHFFFAOYSA-N
XLogP4.89
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one?
The IUPAC name of 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one (CID 135350064) is 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one.
What is the SMILES notation for 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one?
The canonical SMILES for 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one is COc1ccc2c(Oc3ccc(N4CCN(Cc5ccccc5)CC4=O)cc3)ccnc2c1OC.
What is the InChIKey of 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one?
The InChIKey is LJVWDEKOKUZNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-33-25-13-12-23-24(14-15-29-27(23)28(25)34-2)35-22-10-8-21(9-11-22)31-17-16-30(19-26(31)32)18-20-6-4-3-5-7-20/h3-15H,16-19H2,1-2H3.
What are the key properties of 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one?
4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one has a molecular weight of 469.54 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[4-(7,8-dimethoxyquinolin-4-yl)oxyphenyl]piperazin-2-one is sourced from PubChem (CID 135350064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).