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

C24H23NO3 — CID 3272173

IUPAC5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCCN1C2=C(C(=O)CCC2)C(c2ccco2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C24H23NO3/c1-2-3-13-25-17-10-6-11-18(26)20(17)21(19-12-7-14-28-19)22-23(25)15-8-4-5-9-16(15)24(22)27/h4-5,7-9,12,14,21H,2-3,6,10-11,13H2,1H3
InChIKeyNZIRRGOQQOXCRO-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.09
Rot. Bonds4

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

5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 3272173) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID3272173
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCCCCN1C2=C(C(=O)CCC2)C(c2ccco2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C24H23NO3/c1-2-3-13-25-17-10-6-11-18(26)20(17)21(19-12-7-14-28-19)22-23(25)15-8-4-5-9-16(15)24(22)27/h4-5,7-9,12,14,21H,2-3,6,10-11,13H2,1H3
InChIKeyNZIRRGOQQOXCRO-UHFFFAOYSA-N
XLogP5.09
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 3272173) is 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CCCCN1C2=C(C(=O)CCC2)C(c2ccco2)C2=C1c1ccccc1C2=O.
What is the InChIKey of 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is NZIRRGOQQOXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-3-13-25-17-10-6-11-18(26)20(17)21(19-12-7-14-28-19)22-23(25)15-8-4-5-9-16(15)24(22)27/h4-5,7-9,12,14,21H,2-3,6,10-11,13H2,1H3.
What are the key properties of 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 373.45 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-10-(furan-2-yl)-6,7,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3272173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).