3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione

C16H21NO2 — CID 141269176

IUPAC3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione
SMILESO=C1CCC2C(=CCC3C4CCC(=O)C4CCC23)N1
InChIInChI=1S/C16H21NO2/c18-15-7-4-11-9-3-6-14-12(5-8-16(19)17-14)10(9)1-2-13(11)15/h6,9-13H,1-5,7-8H2,(H,17,19)
InChIKeyBQUGKLQZIJHOCQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds

About 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione

3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione (PubChem CID 141269176) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione.

Molecular Properties

Compound Name3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione
PubChem CID141269176
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione
SMILESO=C1CCC2C(=CCC3C4CCC(=O)C4CCC23)N1
InChIInChI=1S/C16H21NO2/c18-15-7-4-11-9-3-6-14-12(5-8-16(19)17-14)10(9)1-2-13(11)15/h6,9-13H,1-5,7-8H2,(H,17,19)
InChIKeyBQUGKLQZIJHOCQ-UHFFFAOYSA-N
XLogP2.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
The IUPAC name of 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione (CID 141269176) is 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione.
What is the SMILES notation for 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
The canonical SMILES for 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione is O=C1CCC2C(=CCC3C4CCC(=O)C4CCC23)N1.
What is the InChIKey of 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
The InChIKey is BQUGKLQZIJHOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15-7-4-11-9-3-6-14-12(5-8-16(19)17-14)10(9)1-2-13(11)15/h6,9-13H,1-5,7-8H2,(H,17,19).
What are the key properties of 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione has a molecular weight of 259.35 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,3b,4,6,8,9,9a,9b,10,11,11a-dodecahydro-2H-indeno[5,4-f]quinoline-1,7-dione is sourced from PubChem (CID 141269176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).