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

C28H29NO2 — CID 3130893

IUPAC10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C28H29NO2/c1-4-5-8-17-11-13-18(14-12-17)23-24-21(15-28(2,3)16-22(24)30)29-26-19-9-6-7-10-20(19)27(31)25(23)26/h6-7,9-14,23,29H,4-5,8,15-16H2,1-3H3
InChIKeyZNUZBVIMLQUXBZ-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.97
Rot. Bonds4

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

10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 3130893) has the molecular formula C28H29NO2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID3130893
Molecular FormulaC28H29NO2
Molecular Weight411.55 g/mol
Exact Mass411.22
IUPAC Name10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C28H29NO2/c1-4-5-8-17-11-13-18(14-12-17)23-24-21(15-28(2,3)16-22(24)30)29-26-19-9-6-7-10-20(19)27(31)25(23)26/h6-7,9-14,23,29H,4-5,8,15-16H2,1-3H3
InChIKeyZNUZBVIMLQUXBZ-UHFFFAOYSA-N
XLogP5.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 3130893) is 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CCCCc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is ZNUZBVIMLQUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO2/c1-4-5-8-17-11-13-18(14-12-17)23-24-21(15-28(2,3)16-22(24)30)29-26-19-9-6-7-10-20(19)27(31)25(23)26/h6-7,9-14,23,29H,4-5,8,15-16H2,1-3H3.
What are the key properties of 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 411.55 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-butylphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3130893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).