5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

C16H22N4O — CID 114528686

IUPAC5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCc1nccn1C
InChIInChI=1S/C16H22N4O/c1-17-13-4-3-5-14-12(13)6-7-16(21)20(14)10-8-15-18-9-11-19(15)2/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyXVMLZBGRVZUJRK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.42
Rot. Bonds4

About 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 114528686) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID114528686
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCc1nccn1C
InChIInChI=1S/C16H22N4O/c1-17-13-4-3-5-14-12(13)6-7-16(21)20(14)10-8-15-18-9-11-19(15)2/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3
InChIKeyXVMLZBGRVZUJRK-UHFFFAOYSA-N
XLogP1.42
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 114528686) is 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is CNC1CCCc2c1ccc(=O)n2CCc1nccn1C.
What is the InChIKey of 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is XVMLZBGRVZUJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-13-4-3-5-14-12(13)6-7-16(21)20(14)10-8-15-18-9-11-19(15)2/h6-7,9,11,13,17H,3-5,8,10H2,1-2H3.
What are the key properties of 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-[2-(1-methylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 114528686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).