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

C9H12N2O — CID 131850194

IUPAC3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESNc1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h5H,1-4,10H2,(H,11,12)
InChIKeyFAZOVAFRFARPPT-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.84
Rot. Bonds

About 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one

3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 131850194) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID131850194
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESNc1c[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C9H12N2O/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h5H,1-4,10H2,(H,11,12)
InChIKeyFAZOVAFRFARPPT-UHFFFAOYSA-N
XLogP0.84
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 131850194) is 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one is Nc1c[nH]c2c(c1=O)CCCC2.
What is the InChIKey of 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is FAZOVAFRFARPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h5H,1-4,10H2,(H,11,12).
What are the key properties of 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one?
3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 131850194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).