10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C26H25NO4 — CID 3696926

IUPAC10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1OC
InChIInChI=1S/C26H25NO4/c1-26(2)12-17-22(18(28)13-26)21(14-9-10-19(30-3)20(11-14)31-4)23-24(27-17)15-7-5-6-8-16(15)25(23)29/h5-11,21,27H,12-13H2,1-4H3
InChIKeyYPCJOFDZYIHBJO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.64
Rot. Bonds3

About 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 3696926) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID3696926
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1OC
InChIInChI=1S/C26H25NO4/c1-26(2)12-17-22(18(28)13-26)21(14-9-10-19(30-3)20(11-14)31-4)23-24(27-17)15-7-5-6-8-16(15)25(23)29/h5-11,21,27H,12-13H2,1-4H3
InChIKeyYPCJOFDZYIHBJO-UHFFFAOYSA-N
XLogP4.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 3696926) is 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is COc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)c2ccccc23)cc1OC.
What is the InChIKey of 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is YPCJOFDZYIHBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-26(2)12-17-22(18(28)13-26)21(14-9-10-19(30-3)20(11-14)31-4)23-24(27-17)15-7-5-6-8-16(15)25(23)29/h5-11,21,27H,12-13H2,1-4H3.
What are the key properties of 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 415.49 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dimethoxyphenyl)-7,7-dimethyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).