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

C15H24N2O3 — CID 22266484

IUPACacetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(=O)O.CCCCn1c2c(cc(N)c1=O)CCCC2
InChIInChI=1S/C13H20N2O.C2H4O2/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(14)13(15)16;1-2(3)4/h9H,2-8,14H2,1H3;1H3,(H,3,4)
InChIKeyXNXUEDWVILLPPB-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.20
Rot. Bonds3

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

acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 22266484) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Nameacetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID22266484
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameacetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCC(=O)O.CCCCn1c2c(cc(N)c1=O)CCCC2
InChIInChI=1S/C13H20N2O.C2H4O2/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(14)13(15)16;1-2(3)4/h9H,2-8,14H2,1H3;1H3,(H,3,4)
InChIKeyXNXUEDWVILLPPB-UHFFFAOYSA-N
XLogP2.20
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one (CID 22266484) is acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one is CC(=O)O.CCCCn1c2c(cc(N)c1=O)CCCC2.
What is the InChIKey of acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is XNXUEDWVILLPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C2H4O2/c1-2-3-8-15-12-7-5-4-6-10(12)9-11(14)13(15)16;1-2(3)4/h9H,2-8,14H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one?
acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 280.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 22266484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).