1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one

C25H25N5O2 — CID 10342481

IUPAC1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one
SMILESCOc1cc(Cn2c(=O)ccc3ccccc32)cc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C25H25N5O2/c1-32-22-16-19(18-30-23-6-3-2-5-20(23)7-8-24(30)31)15-21(17-22)28-11-13-29(14-12-28)25-26-9-4-10-27-25/h2-10,15-17H,11-14,18H2,1H3
InChIKeySIIATVADCRYFGN-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.17
Rot. Bonds5

About 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one

1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one (PubChem CID 10342481) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one
PubChem CID10342481
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one
SMILESCOc1cc(Cn2c(=O)ccc3ccccc32)cc(N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C25H25N5O2/c1-32-22-16-19(18-30-23-6-3-2-5-20(23)7-8-24(30)31)15-21(17-22)28-11-13-29(14-12-28)25-26-9-4-10-27-25/h2-10,15-17H,11-14,18H2,1H3
InChIKeySIIATVADCRYFGN-UHFFFAOYSA-N
XLogP3.17
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one?
The IUPAC name of 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one (CID 10342481) is 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one.
What is the SMILES notation for 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one?
The canonical SMILES for 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one is COc1cc(Cn2c(=O)ccc3ccccc32)cc(N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one?
The InChIKey is SIIATVADCRYFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-22-16-19(18-30-23-6-3-2-5-20(23)7-8-24(30)31)15-21(17-22)28-11-13-29(14-12-28)25-26-9-4-10-27-25/h2-10,15-17H,11-14,18H2,1H3.
What are the key properties of 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one?
1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one has a molecular weight of 427.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-5-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methyl]quinolin-2-one is sourced from PubChem (CID 10342481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).