3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one

C15H18N4O3 — CID 68901424

IUPAC3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
SMILESNC1Cc2ccccc2N(CC(=O)N2CCNC(=O)C2)C1=O
InChIInChI=1S/C15H18N4O3/c16-11-7-10-3-1-2-4-12(10)19(15(11)22)9-14(21)18-6-5-17-13(20)8-18/h1-4,11H,5-9,16H2,(H,17,20)
InChIKeyFOAOPUZPYRDFRR-UHFFFAOYSA-N
MW302.33 g/mol
LogP-1.14
Rot. Bonds2

About 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one

3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one (PubChem CID 68901424) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
PubChem CID68901424
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one
SMILESNC1Cc2ccccc2N(CC(=O)N2CCNC(=O)C2)C1=O
InChIInChI=1S/C15H18N4O3/c16-11-7-10-3-1-2-4-12(10)19(15(11)22)9-14(21)18-6-5-17-13(20)8-18/h1-4,11H,5-9,16H2,(H,17,20)
InChIKeyFOAOPUZPYRDFRR-UHFFFAOYSA-N
XLogP-1.14
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one (CID 68901424) is 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one is NC1Cc2ccccc2N(CC(=O)N2CCNC(=O)C2)C1=O.
What is the InChIKey of 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is FOAOPUZPYRDFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-11-7-10-3-1-2-4-12(10)19(15(11)22)9-14(21)18-6-5-17-13(20)8-18/h1-4,11H,5-9,16H2,(H,17,20).
What are the key properties of 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one?
3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 302.33 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 68901424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).