7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C27H27NO2 — CID 2913226

IUPAC7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C27H27NO2/c1-15(2)16-9-11-17(12-10-16)22-23-20(13-27(3,4)14-21(23)29)28-25-18-7-5-6-8-19(18)26(30)24(22)25/h5-12,15,22,28H,13-14H2,1-4H3
InChIKeyJJFSIJNJIVNLCH-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.75
Rot. Bonds2

About 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 2913226) has the molecular formula C27H27NO2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID2913226
Molecular FormulaC27H27NO2
Molecular Weight397.52 g/mol
Exact Mass397.20
IUPAC Name7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C27H27NO2/c1-15(2)16-9-11-17(12-10-16)22-23-20(13-27(3,4)14-21(23)29)28-25-18-7-5-6-8-19(18)26(30)24(22)25/h5-12,15,22,28H,13-14H2,1-4H3
InChIKeyJJFSIJNJIVNLCH-UHFFFAOYSA-N
XLogP5.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 2913226) is 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CC(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is JJFSIJNJIVNLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2/c1-15(2)16-9-11-17(12-10-16)22-23-20(13-27(3,4)14-21(23)29)28-25-18-7-5-6-8-19(18)26(30)24(22)25/h5-12,15,22,28H,13-14H2,1-4H3.
What are the key properties of 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 397.52 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-10-(4-propan-2-ylphenyl)-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2913226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).