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

C28H29NO3 — CID 155088334

IUPAC10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C28H29NO3/c1-2-3-4-7-17-32-19-15-13-18(14-16-19)24-25-22(11-8-12-23(25)30)29-27-20-9-5-6-10-21(20)28(31)26(24)27/h5-6,9-10,13-16,24,29H,2-4,7-8,11-12,17H2,1H3
InChIKeyYTPNEKHUXVGGHI-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.95
Rot. Bonds7

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

10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 155088334) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID155088334
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C28H29NO3/c1-2-3-4-7-17-32-19-15-13-18(14-16-19)24-25-22(11-8-12-23(25)30)29-27-20-9-5-6-10-21(20)28(31)26(24)27/h5-6,9-10,13-16,24,29H,2-4,7-8,11-12,17H2,1H3
InChIKeyYTPNEKHUXVGGHI-UHFFFAOYSA-N
XLogP5.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (CID 155088334) is 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is YTPNEKHUXVGGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-2-3-4-7-17-32-19-15-13-18(14-16-19)24-25-22(11-8-12-23(25)30)29-27-20-9-5-6-10-21(20)28(31)26(24)27/h5-6,9-10,13-16,24,29H,2-4,7-8,11-12,17H2,1H3.
What are the key properties of 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 427.54 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-hexoxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 155088334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).