4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one

C23H24N4O — CID 90656163

IUPAC4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1c1ccc2c(N3CCNCC3)ccnc2c1
InChIInChI=1S/C23H24N4O/c28-23-14-18(17-4-2-1-3-5-17)16-27(23)19-6-7-20-21(15-19)25-9-8-22(20)26-12-10-24-11-13-26/h1-9,15,18,24H,10-14,16H2
InChIKeyDLCABXCLMCCNAX-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.16
Rot. Bonds3

About 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one

4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one (PubChem CID 90656163) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one
PubChem CID90656163
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ccccc2)CN1c1ccc2c(N3CCNCC3)ccnc2c1
InChIInChI=1S/C23H24N4O/c28-23-14-18(17-4-2-1-3-5-17)16-27(23)19-6-7-20-21(15-19)25-9-8-22(20)26-12-10-24-11-13-26/h1-9,15,18,24H,10-14,16H2
InChIKeyDLCABXCLMCCNAX-UHFFFAOYSA-N
XLogP3.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one?
The IUPAC name of 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one (CID 90656163) is 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one?
The canonical SMILES for 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one is O=C1CC(c2ccccc2)CN1c1ccc2c(N3CCNCC3)ccnc2c1.
What is the InChIKey of 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one?
The InChIKey is DLCABXCLMCCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23-14-18(17-4-2-1-3-5-17)16-27(23)19-6-7-20-21(15-19)25-9-8-22(20)26-12-10-24-11-13-26/h1-9,15,18,24H,10-14,16H2.
What are the key properties of 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one?
4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one has a molecular weight of 372.47 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-piperazin-1-ylquinolin-7-yl)pyrrolidin-2-one is sourced from PubChem (CID 90656163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).