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

C25H23NO3 — CID 155088339

IUPAC10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCC(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C25H23NO3/c1-14(2)29-16-12-10-15(11-13-16)21-22-19(8-5-9-20(22)27)26-24-17-6-3-4-7-18(17)25(28)23(21)24/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3
InChIKeyZWORRMJPGKNPLW-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.78
Rot. Bonds3

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

10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 155088339) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID155088339
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
SMILESCC(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C25H23NO3/c1-14(2)29-16-12-10-15(11-13-16)21-22-19(8-5-9-20(22)27)26-24-17-6-3-4-7-18(17)25(28)23(21)24/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3
InChIKeyZWORRMJPGKNPLW-UHFFFAOYSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione (CID 155088339) is 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is CC(C)Oc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is ZWORRMJPGKNPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-14(2)29-16-12-10-15(11-13-16)21-22-19(8-5-9-20(22)27)26-24-17-6-3-4-7-18(17)25(28)23(21)24/h3-4,6-7,10-14,21,26H,5,8-9H2,1-2H3.
What are the key properties of 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione?
10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 385.46 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-propan-2-yloxyphenyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 155088339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).