3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine

C12H14N2 — CID 57100469

IUPAC3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine
SMILESC1=CCC2CN=C3CCN=CC3C2=C1
InChIInChI=1S/C12H14N2/c1-2-4-10-9(3-1)7-14-12-5-6-13-8-11(10)12/h1-2,4,8-9,11H,3,5-7H2
InChIKeySQADKRYUJMPNRD-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.03
Rot. Bonds

About 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine

3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine (PubChem CID 57100469) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine.

Molecular Properties

Compound Name3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine
PubChem CID57100469
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine
SMILESC1=CCC2CN=C3CCN=CC3C2=C1
InChIInChI=1S/C12H14N2/c1-2-4-10-9(3-1)7-14-12-5-6-13-8-11(10)12/h1-2,4,8-9,11H,3,5-7H2
InChIKeySQADKRYUJMPNRD-UHFFFAOYSA-N
XLogP2.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1,4,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
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1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
10-Azatricyclo[7.3.1.02,7]trideca-3,5,9-triene
CID 54134840
3-Azabicyclo[5.3.1]undeca-2,7,9-triene
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4,16-Diazatetracyclo[7.6.1.02,7.010,15]hexadeca-1(16),3,6,11,13-pentaene
CID 57158404

Frequently Asked Questions

What is the IUPAC name of 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine?
The IUPAC name of 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine (CID 57100469) is 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine.
What is the SMILES notation for 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine?
The canonical SMILES for 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine is C1=CCC2CN=C3CCN=CC3C2=C1.
What is the InChIKey of 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine?
The InChIKey is SQADKRYUJMPNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-4-10-9(3-1)7-14-12-5-6-13-8-11(10)12/h1-2,4,8-9,11H,3,5-7H2.
What are the key properties of 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine?
3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine has a molecular weight of 186.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6a,7,10b-hexahydrobenzo[c][1,6]naphthyridine is sourced from PubChem (CID 57100469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).