4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline

C12H16N2 — CID 67926157

IUPAC4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline
SMILESC1=CC2C=C3NCCCC3CC2N=C1
InChIInChI=1S/C12H16N2/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1/h1,3,5,7,9-11,14H,2,4,6,8H2
InChIKeyQSZXAPLYYOLMDM-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.90
Rot. Bonds

About 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline

4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline (PubChem CID 67926157) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline.

Molecular Properties

Compound Name4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline
PubChem CID67926157
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline
SMILESC1=CC2C=C3NCCCC3CC2N=C1
InChIInChI=1S/C12H16N2/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1/h1,3,5,7,9-11,14H,2,4,6,8H2
InChIKeyQSZXAPLYYOLMDM-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline?
The IUPAC name of 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline (CID 67926157) is 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline.
What is the SMILES notation for 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline?
The canonical SMILES for 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline is C1=CC2C=C3NCCCC3CC2N=C1.
What is the InChIKey of 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline?
The InChIKey is QSZXAPLYYOLMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-9-7-12-10(4-2-6-14-12)8-11(9)13-5-1/h1,3,5,7,9-11,14H,2,4,6,8H2.
What are the key properties of 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline?
4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline has a molecular weight of 188.27 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6,7,8,9,9a,10,10a-octahydropyrido[2,3-g]quinoline is sourced from PubChem (CID 67926157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).