3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one

C13H20N2O — CID 22266485

IUPAC3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(cc(N)c1=O)CCCC2
InChIInChI=1S/C13H20N2O/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(14)13(15)16/h9H,2-8,14H2,1H3
InChIKeyXZFBFYYVQGGHDJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.11
Rot. Bonds3

About 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one

3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 22266485) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID22266485
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCn1c2c(cc(N)c1=O)CCCC2
InChIInChI=1S/C13H20N2O/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(14)13(15)16/h9H,2-8,14H2,1H3
InChIKeyXZFBFYYVQGGHDJ-UHFFFAOYSA-N
XLogP2.11
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one (CID 22266485) is 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one is CCCCn1c2c(cc(N)c1=O)CCCC2.
What is the InChIKey of 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is XZFBFYYVQGGHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(14)13(15)16/h9H,2-8,14H2,1H3.
What are the key properties of 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 22266485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).