6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one

C13H20N2O — CID 118738743

IUPAC6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)Cn1c2c(ccc1=O)CC(N)CC2
InChIInChI=1S/C13H20N2O/c1-9(2)8-15-12-5-4-11(14)7-10(12)3-6-13(15)16/h3,6,9,11H,4-5,7-8,14H2,1-2H3
InChIKeyGBKGZYCERYCBIP-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.32
Rot. Bonds2

About 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one

6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118738743) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID118738743
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(C)Cn1c2c(ccc1=O)CC(N)CC2
InChIInChI=1S/C13H20N2O/c1-9(2)8-15-12-5-4-11(14)7-10(12)3-6-13(15)16/h3,6,9,11H,4-5,7-8,14H2,1-2H3
InChIKeyGBKGZYCERYCBIP-UHFFFAOYSA-N
XLogP1.32
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 118738743) is 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one is CC(C)Cn1c2c(ccc1=O)CC(N)CC2.
What is the InChIKey of 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is GBKGZYCERYCBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)8-15-12-5-4-11(14)7-10(12)3-6-13(15)16/h3,6,9,11H,4-5,7-8,14H2,1-2H3.
What are the key properties of 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one?
6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118738743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).