10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

C22H16BrNO2 — CID 2856606

IUPAC10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccc(Br)cc1)C1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C22H16BrNO2/c23-13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)25)24-21-14-4-1-2-5-15(14)22(26)20(18)21/h1-2,4-5,8-11,18,20H,3,6-7H2
InChIKeyCHEPCDKUSNNHAA-UHFFFAOYSA-N
MW406.28 g/mol
LogP4.86
Rot. Bonds1

About 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 2856606) has the molecular formula C22H16BrNO2 and a molecular weight of 406.28 g/mol. Its IUPAC name is 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID2856606
Molecular FormulaC22H16BrNO2
Molecular Weight406.28 g/mol
Exact Mass405.04
IUPAC Name10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccc(Br)cc1)C1C(=O)c3ccccc3C1=N2
InChIInChI=1S/C22H16BrNO2/c23-13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)25)24-21-14-4-1-2-5-15(14)22(26)20(18)21/h1-2,4-5,8-11,18,20H,3,6-7H2
InChIKeyCHEPCDKUSNNHAA-UHFFFAOYSA-N
XLogP4.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.28
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 2856606) is 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is O=C1CCCC2=C1C(c1ccc(Br)cc1)C1C(=O)c3ccccc3C1=N2.
What is the InChIKey of 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is CHEPCDKUSNNHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrNO2/c23-13-10-8-12(9-11-13)18-19-16(6-3-7-17(19)25)24-21-14-4-1-2-5-15(14)22(26)20(18)21/h1-2,4-5,8-11,18,20H,3,6-7H2.
What are the key properties of 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 406.28 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2856606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).