3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

C25H28ClN5O2 — CID 56950682

IUPAC3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCN(c3ccccc3)CC2)CN1CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H28ClN5O2/c26-19-6-7-22-23(8-9-27-24(22)16-19)28-10-11-31-18-21(33-25(31)32)17-29-12-14-30(15-13-29)20-4-2-1-3-5-20/h1-9,16,21H,10-15,17-18H2,(H,27,28)
InChIKeyQGQOALPKBAGRKT-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.94
Rot. Bonds7

About 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 56950682) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID56950682
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCN(c3ccccc3)CC2)CN1CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C25H28ClN5O2/c26-19-6-7-22-23(8-9-27-24(22)16-19)28-10-11-31-18-21(33-25(31)32)17-29-12-14-30(15-13-29)20-4-2-1-3-5-20/h1-9,16,21H,10-15,17-18H2,(H,27,28)
InChIKeyQGQOALPKBAGRKT-UHFFFAOYSA-N
XLogP3.94
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 56950682) is 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is O=C1OC(CN2CCN(c3ccccc3)CC2)CN1CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is QGQOALPKBAGRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c26-19-6-7-22-23(8-9-27-24(22)16-19)28-10-11-31-18-21(33-25(31)32)17-29-12-14-30(15-13-29)20-4-2-1-3-5-20/h1-9,16,21H,10-15,17-18H2,(H,27,28).
What are the key properties of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 465.99 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56950682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).