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

C28H21NO3 — CID 155088352

IUPAC10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccc(Oc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C28H21NO3/c30-23-12-6-11-22-25(23)24(26-27(29-22)20-9-4-5-10-21(20)28(26)31)17-13-15-19(16-14-17)32-18-7-2-1-3-8-18/h1-5,7-10,13-16,24,29H,6,11-12H2
InChIKeyBMCSDFNRCHRSFZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.78
Rot. Bonds3

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

10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 155088352) has the molecular formula C28H21NO3 and a molecular weight of 419.48 g/mol. Its IUPAC name is 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID155088352
Molecular FormulaC28H21NO3
Molecular Weight419.48 g/mol
Exact Mass419.15
IUPAC Name10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1CCCC2=C1C(c1ccc(Oc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O
InChIInChI=1S/C28H21NO3/c30-23-12-6-11-22-25(23)24(26-27(29-22)20-9-4-5-10-21(20)28(26)31)17-13-15-19(16-14-17)32-18-7-2-1-3-8-18/h1-5,7-10,13-16,24,29H,6,11-12H2
InChIKeyBMCSDFNRCHRSFZ-UHFFFAOYSA-N
XLogP5.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (CID 155088352) is 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is O=C1CCCC2=C1C(c1ccc(Oc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O.
What is the InChIKey of 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is BMCSDFNRCHRSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO3/c30-23-12-6-11-22-25(23)24(26-27(29-22)20-9-4-5-10-21(20)28(26)31)17-13-15-19(16-14-17)32-18-7-2-1-3-8-18/h1-5,7-10,13-16,24,29H,6,11-12H2.
What are the key properties of 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 419.48 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-phenoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 155088352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).