3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C20H23N5O — CID 59474843

IUPAC3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CCN(c4ncccn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C20H23N5O/c1-2-16-13-17-5-4-15(12-18(17)23-19(16)26)14-24-8-10-25(11-9-24)20-21-6-3-7-22-20/h3-7,12-13H,2,8-11,14H2,1H3,(H,23,26)
InChIKeyBWLZJHFWAWQZAW-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.20
Rot. Bonds4

About 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one

3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 59474843) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID59474843
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1cc2ccc(CN3CCN(c4ncccn4)CC3)cc2[nH]c1=O
InChIInChI=1S/C20H23N5O/c1-2-16-13-17-5-4-15(12-18(17)23-19(16)26)14-24-8-10-25(11-9-24)20-21-6-3-7-22-20/h3-7,12-13H,2,8-11,14H2,1H3,(H,23,26)
InChIKeyBWLZJHFWAWQZAW-UHFFFAOYSA-N
XLogP2.20
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 59474843) is 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one is CCc1cc2ccc(CN3CCN(c4ncccn4)CC3)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is BWLZJHFWAWQZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-16-13-17-5-4-15(12-18(17)23-19(16)26)14-24-8-10-25(11-9-24)20-21-6-3-7-22-20/h3-7,12-13H,2,8-11,14H2,1H3,(H,23,26).
What are the key properties of 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 349.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 59474843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).