11H-[1,4]diazocino[2,1-g][1,7]naphthyridine

C13H11N3 — CID 154117148

IUPAC11H-[1,4]diazocino[2,1-g][1,7]naphthyridine
SMILESC1=CCN2C=c3ncccc3=CC2=C/N=C\1
InChIInChI=1S/C13H11N3/c1-2-7-16-10-13-11(4-3-6-15-13)8-12(16)9-14-5-1/h1-6,8-10H,7H2/b2-1?,12-9?,14-5-
InChIKeyLKIBDMDAMKHLBF-AFIFOHAMSA-N
MW209.25 g/mol
LogP0.40
Rot. Bonds

About 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine

11H-[1,4]diazocino[2,1-g][1,7]naphthyridine (PubChem CID 154117148) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine.

Molecular Properties

Compound Name11H-[1,4]diazocino[2,1-g][1,7]naphthyridine
PubChem CID154117148
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name11H-[1,4]diazocino[2,1-g][1,7]naphthyridine
SMILESC1=CCN2C=c3ncccc3=CC2=C/N=C\1
InChIInChI=1S/C13H11N3/c1-2-7-16-10-13-11(4-3-6-15-13)8-12(16)9-14-5-1/h1-6,8-10H,7H2/b2-1?,12-9?,14-5-
InChIKeyLKIBDMDAMKHLBF-AFIFOHAMSA-N
XLogP0.40
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6h,7h-Quinoline
CID 67835501
Pyrazino[1,2-b]isoquinoline
CID 118184971
3-methylidene-1-(3-methylidenecyclohexa-1,5-dien-1-yl)-4H-pyridin-1-ium
CID 90880239
7aH-pyrazino[2,1-a]isoquinoline
CID 90945867
7H-pyrazino[1,2-b]isoquinoline
CID 91176376
9H-pyrimido[1,2-a]quinoline
CID 91449658
[1,4]Diazepino[2,1-g][1,7]naphthyridine
CID 19067743
1,14-Diazatetracyclo[7.7.1.02,8.013,17]heptadeca-2,4,6,8,10,13(17),14-heptaene
CID 21887294
1,4-Diazatetracyclo[7.5.1.05,15.010,14]pentadeca-3,5(15),7,9,11,13-hexaene
CID 21887933
1,4-Diazatricyclo[7.3.1.05,13]trideca-3,5(13),6,9,11-pentaene
CID 57207223
2H-pyrazino[2,3-b]quinolizine
CID 57315050
6,7-Dihydro-1,7-naphthyridine
CID 58988416

Frequently Asked Questions

What is the IUPAC name of 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine?
The IUPAC name of 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine (CID 154117148) is 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine.
What is the SMILES notation for 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine?
The canonical SMILES for 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine is C1=CCN2C=c3ncccc3=CC2=C/N=C\1.
What is the InChIKey of 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine?
The InChIKey is LKIBDMDAMKHLBF-AFIFOHAMSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-7-16-10-13-11(4-3-6-15-13)8-12(16)9-14-5-1/h1-6,8-10H,7H2/b2-1?,12-9?,14-5-.
What are the key properties of 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine?
11H-[1,4]diazocino[2,1-g][1,7]naphthyridine has a molecular weight of 209.25 g/mol, XLogP of 0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-[1,4]diazocino[2,1-g][1,7]naphthyridine is sourced from PubChem (CID 154117148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).