1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine

C12H16N2 — CID 13193877

IUPAC1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
SMILESc1c2c(nc3c1CNCC3)CCCC2
InChIInChI=1S/C12H16N2/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h7,13H,1-6,8H2
InChIKeyVINQGAUZEYHYPA-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.61
Rot. Bonds

About 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine

1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine (PubChem CID 13193877) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
PubChem CID13193877
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
SMILESc1c2c(nc3c1CNCC3)CCCC2
InChIInChI=1S/C12H16N2/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h7,13H,1-6,8H2
InChIKeyVINQGAUZEYHYPA-UHFFFAOYSA-N
XLogP1.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine?
The IUPAC name of 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine (CID 13193877) is 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine.
What is the SMILES notation for 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine?
The canonical SMILES for 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine is c1c2c(nc3c1CNCC3)CCCC2.
What is the InChIKey of 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine?
The InChIKey is VINQGAUZEYHYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-11-9(3-1)7-10-8-13-6-5-12(10)14-11/h7,13H,1-6,8H2.
What are the key properties of 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine?
1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine has a molecular weight of 188.27 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine is sourced from PubChem (CID 13193877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).