3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one

C13H14N2O — CID 162540284

IUPAC3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one
SMILESNC1CC=C2c3ccccc3CCN2C1=O
InChIInChI=1S/C13H14N2O/c14-11-5-6-12-10-4-2-1-3-9(10)7-8-15(12)13(11)16/h1-4,6,11H,5,7-8,14H2
InChIKeyMUSIOFJUUGAYBV-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.14
Rot. Bonds

About 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one

3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one (PubChem CID 162540284) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one.

Molecular Properties

Compound Name3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one
PubChem CID162540284
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one
SMILESNC1CC=C2c3ccccc3CCN2C1=O
InChIInChI=1S/C13H14N2O/c14-11-5-6-12-10-4-2-1-3-9(10)7-8-15(12)13(11)16/h1-4,6,11H,5,7-8,14H2
InChIKeyMUSIOFJUUGAYBV-UHFFFAOYSA-N
XLogP1.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,6,7-tetrahydropyrazino[2,1-a]isoquinolin-4-one
CID 150898716
(11R)-11-amino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 10084879
2-[4-(aminomethyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 83084191
2-pyridin-2-yl-3,4-dihydroisoquinolin-1-one
CID 162411667
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
2-(2-amino-4-bromophenyl)-3,4-dihydroisoquinolin-1-one
CID 83084687
2-(5-amino-2,4-dimethylphenyl)-3,4-dihydroisoquinolin-1-one
CID 104757868
2-(1-oxo-2,3-dihydroinden-5-yl)-3,4-dihydroisoquinolin-1-one
CID 126575246
1,2-dimethoxy-2,3,6,7-tetrahydropyrimido[6,1-a]isoquinolin-4-one
CID 69406087
6,11-diamino-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-12-one
CID 21201461
2-(cyclopropylmethyl)-3,4-dihydroisoquinolin-1-one
CID 70927083
2-tert-butyl-3,4-dihydroisoquinolin-1-one
CID 23591920

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
The IUPAC name of 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one (CID 162540284) is 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one.
What is the SMILES notation for 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
The canonical SMILES for 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one is NC1CC=C2c3ccccc3CCN2C1=O.
What is the InChIKey of 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
The InChIKey is MUSIOFJUUGAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-11-5-6-12-10-4-2-1-3-9(10)7-8-15(12)13(11)16/h1-4,6,11H,5,7-8,14H2.
What are the key properties of 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one?
3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one has a molecular weight of 214.27 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3,6,7-tetrahydrobenzo[a]quinolizin-4-one is sourced from PubChem (CID 162540284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).