1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one

C12H16N2O — CID 66882722

IUPAC1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one
SMILESO=C1CC=CC2C3CCCNC3C=CN12
InChIInChI=1S/C12H16N2O/c15-12-5-1-4-11-9-3-2-7-13-10(9)6-8-14(11)12/h1,4,6,8-11,13H,2-3,5,7H2
InChIKeyCOLFGGJPWLMKFF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.04
Rot. Bonds

About 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one

1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one (PubChem CID 66882722) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one
PubChem CID66882722
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one
SMILESO=C1CC=CC2C3CCCNC3C=CN12
InChIInChI=1S/C12H16N2O/c15-12-5-1-4-11-9-3-2-7-13-10(9)6-8-14(11)12/h1,4,6,8-11,13H,2-3,5,7H2
InChIKeyCOLFGGJPWLMKFF-UHFFFAOYSA-N
XLogP1.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one?
The IUPAC name of 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one (CID 66882722) is 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one.
What is the SMILES notation for 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one?
The canonical SMILES for 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one is O=C1CC=CC2C3CCCNC3C=CN12.
What is the InChIKey of 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one?
The InChIKey is COLFGGJPWLMKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-5-1-4-11-9-3-2-7-13-10(9)6-8-14(11)12/h1,4,6,8-11,13H,2-3,5,7H2.
What are the key properties of 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one?
1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one has a molecular weight of 204.27 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,9,11a,11b-octahydropyrido[2,1-f][1,6]naphthyridin-8-one is sourced from PubChem (CID 66882722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).