3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one

C15H18N4O2 — CID 63018863

IUPAC3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one
SMILESNCc1cc2ccccc2n(CCN2CCNC2=O)c1=O
InChIInChI=1S/C15H18N4O2/c16-10-12-9-11-3-1-2-4-13(11)19(14(12)20)8-7-18-6-5-17-15(18)21/h1-4,9H,5-8,10,16H2,(H,17,21)
InChIKeyMKOQFWMRAQSYGC-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.49
Rot. Bonds4

About 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one

3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one (PubChem CID 63018863) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one
PubChem CID63018863
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one
SMILESNCc1cc2ccccc2n(CCN2CCNC2=O)c1=O
InChIInChI=1S/C15H18N4O2/c16-10-12-9-11-3-1-2-4-13(11)19(14(12)20)8-7-18-6-5-17-15(18)21/h1-4,9H,5-8,10,16H2,(H,17,21)
InChIKeyMKOQFWMRAQSYGC-UHFFFAOYSA-N
XLogP0.49
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one (CID 63018863) is 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one is NCc1cc2ccccc2n(CCN2CCNC2=O)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one?
The InChIKey is MKOQFWMRAQSYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-10-12-9-11-3-1-2-4-13(11)19(14(12)20)8-7-18-6-5-17-15(18)21/h1-4,9H,5-8,10,16H2,(H,17,21).
What are the key properties of 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one?
3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one has a molecular weight of 286.33 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[2-(2-oxoimidazolidin-1-yl)ethyl]quinolin-2-one is sourced from PubChem (CID 63018863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).