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

C26H23Cl2NO2 — CID 2936609

IUPAC5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCCN1C2=C(C(=O)CCC2)C(c2ccc(Cl)c(Cl)c2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C26H23Cl2NO2/c1-2-3-13-29-20-9-6-10-21(30)23(20)22(15-11-12-18(27)19(28)14-15)24-25(29)16-7-4-5-8-17(16)26(24)31/h4-5,7-8,11-12,14,22H,2-3,6,9-10,13H2,1H3
InChIKeyYIQNPDCRFHSHIU-UHFFFAOYSA-N
MW452.38 g/mol
LogP6.81
Rot. Bonds4

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

5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 2936609) has the molecular formula C26H23Cl2NO2 and a molecular weight of 452.38 g/mol. Its IUPAC name is 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID2936609
Molecular FormulaC26H23Cl2NO2
Molecular Weight452.38 g/mol
Exact Mass451.11
IUPAC Name5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCCN1C2=C(C(=O)CCC2)C(c2ccc(Cl)c(Cl)c2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C26H23Cl2NO2/c1-2-3-13-29-20-9-6-10-21(30)23(20)22(15-11-12-18(27)19(28)14-15)24-25(29)16-7-4-5-8-17(16)26(24)31/h4-5,7-8,11-12,14,22H,2-3,6,9-10,13H2,1H3
InChIKeyYIQNPDCRFHSHIU-UHFFFAOYSA-N
XLogP6.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.38
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 2936609) is 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CCCCN1C2=C(C(=O)CCC2)C(c2ccc(Cl)c(Cl)c2)C2=C1c1ccccc1C2=O.
What is the InChIKey of 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is YIQNPDCRFHSHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2NO2/c1-2-3-13-29-20-9-6-10-21(30)23(20)22(15-11-12-18(27)19(28)14-15)24-25(29)16-7-4-5-8-17(16)26(24)31/h4-5,7-8,11-12,14,22H,2-3,6,9-10,13H2,1H3.
What are the key properties of 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 452.38 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-10-(3,4-dichlorophenyl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2936609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).