10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C24H20BrNO2 — CID 3696809

IUPAC10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccccc1Br
InChIInChI=1S/C24H20BrNO2/c1-24(2)11-17-20(18(27)12-24)19(15-9-5-6-10-16(15)25)21-22(26-17)13-7-3-4-8-14(13)23(21)28/h3-10,19,26H,11-12H2,1-2H3
InChIKeyBBECWGAEABMBCV-UHFFFAOYSA-N
MW434.33 g/mol
LogP5.39
Rot. Bonds1

About 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 3696809) has the molecular formula C24H20BrNO2 and a molecular weight of 434.33 g/mol. Its IUPAC name is 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID3696809
Molecular FormulaC24H20BrNO2
Molecular Weight434.33 g/mol
Exact Mass433.07
IUPAC Name10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccccc1Br
InChIInChI=1S/C24H20BrNO2/c1-24(2)11-17-20(18(27)12-24)19(15-9-5-6-10-16(15)25)21-22(26-17)13-7-3-4-8-14(13)23(21)28/h3-10,19,26H,11-12H2,1-2H3
InChIKeyBBECWGAEABMBCV-UHFFFAOYSA-N
XLogP5.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.33
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 3696809) is 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccccc1Br.
What is the InChIKey of 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is BBECWGAEABMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO2/c1-24(2)11-17-20(18(27)12-24)19(15-9-5-6-10-16(15)25)21-22(26-17)13-7-3-4-8-14(13)23(21)28/h3-10,19,26H,11-12H2,1-2H3.
What are the key properties of 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 434.33 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-bromophenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3696809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).