2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one

C9H12N2O — CID 21436730

IUPAC2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESNC1=CCC2=C(CCCC2=O)N1
InChIInChI=1S/C9H12N2O/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h5,11H,1-4,10H2
InChIKeyPZEKBUOVGRFHKO-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.79
Rot. Bonds

About 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one

2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 21436730) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID21436730
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESNC1=CCC2=C(CCCC2=O)N1
InChIInChI=1S/C9H12N2O/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h5,11H,1-4,10H2
InChIKeyPZEKBUOVGRFHKO-UHFFFAOYSA-N
XLogP0.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 21436730) is 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one is NC1=CCC2=C(CCCC2=O)N1.
What is the InChIKey of 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is PZEKBUOVGRFHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9-5-4-6-7(11-9)2-1-3-8(6)12/h5,11H,1-4,10H2.
What are the key properties of 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one?
2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 164.21 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 21436730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).