5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione

C16H13N2O2+ — CID 142034526

IUPAC5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione
SMILESO=C1c2ccccc2[NH2+]C2C(=O)c3ccccc3NC12
InChIInChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-14-13(15)18-12-8-4-2-6-10(12)16(14)20/h1-8,13-14,17-18H/p+1
InChIKeyLULIPBNVMHPAQQ-UHFFFAOYSA-O
MW265.29 g/mol
LogP1.12
Rot. Bonds

About 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione

5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione (PubChem CID 142034526) has the molecular formula C16H13N2O2+ and a molecular weight of 265.29 g/mol. Its IUPAC name is 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione.

Molecular Properties

Compound Name5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione
PubChem CID142034526
Molecular FormulaC16H13N2O2+
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione
SMILESO=C1c2ccccc2[NH2+]C2C(=O)c3ccccc3NC12
InChIInChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-14-13(15)18-12-8-4-2-6-10(12)16(14)20/h1-8,13-14,17-18H/p+1
InChIKeyLULIPBNVMHPAQQ-UHFFFAOYSA-O
XLogP1.12
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione with MolForge

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Launch Full Analysis

Related Compounds

3-oxo-1,2-dihydroindole-2-carbonitrile
CID 133058296
2-amino-1,2-dihydroindol-3-one;hydrochloride
CID 146048624
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CID 67713840
2-prop-2-enoxy-1,2-dihydroindol-3-one
CID 134960358
4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide
CID 67605247
2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
CID 659071
CID 158403573
CID 158403573
1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one
CID 160962803
3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861
2-hydroxyindene-1,3-dione
CID 10219583
(3S)-3-phenyl-1H-quinoline-2,4-dione
CID 51552290
3-cyclopentyl-2,3-dihydroisoindol-1-one
CID 84733844

Frequently Asked Questions

What is the IUPAC name of 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione?
The IUPAC name of 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione (CID 142034526) is 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione.
What is the SMILES notation for 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione?
The canonical SMILES for 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione is O=C1c2ccccc2[NH2+]C2C(=O)c3ccccc3NC12.
What is the InChIKey of 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione?
The InChIKey is LULIPBNVMHPAQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H12N2O2/c19-15-9-5-1-3-7-11(9)17-14-13(15)18-12-8-4-2-6-10(12)16(14)20/h1-8,13-14,17-18H/p+1.
What are the key properties of 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione?
5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione has a molecular weight of 265.29 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5a,11,11a-tetrahydroquinolino[3,2-b]quinolin-11-ium-6,12-dione is sourced from PubChem (CID 142034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).