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

C25H23NO2 — CID 3147417

IUPAC10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C25H23NO2/c1-14(2)15-10-12-16(13-11-15)21-22-19(8-5-9-20(22)27)26-24-17-6-3-4-7-18(17)25(28)23(21)24/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3
InChIKeyBXTRKESTWQEDCV-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.11
Rot. Bonds2

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

10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 3147417) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID3147417
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C25H23NO2/c1-14(2)15-10-12-16(13-11-15)21-22-19(8-5-9-20(22)27)26-24-17-6-3-4-7-18(17)25(28)23(21)24/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3
InChIKeyBXTRKESTWQEDCV-UHFFFAOYSA-N
XLogP5.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (CID 3147417) is 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is CC(C)c1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is BXTRKESTWQEDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-14(2)15-10-12-16(13-11-15)21-22-19(8-5-9-20(22)27)26-24-17-6-3-4-7-18(17)25(28)23(21)24/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3.
What are the key properties of 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 369.46 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-propan-2-ylphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3147417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).