10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

C23H19NO2 — CID 2860261

IUPAC10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCc1cccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)c1
InChIInChI=1S/C23H19NO2/c1-13-6-4-7-14(12-13)19-20-17(10-5-11-18(20)25)24-22-15-8-2-3-9-16(15)23(26)21(19)22/h2-4,6-9,12,19,21H,5,10-11H2,1H3
InChIKeyZXQIBROJZVFLES-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.40
Rot. Bonds1

About 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 2860261) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID2860261
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCc1cccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)c1
InChIInChI=1S/C23H19NO2/c1-13-6-4-7-14(12-13)19-20-17(10-5-11-18(20)25)24-22-15-8-2-3-9-16(15)23(26)21(19)22/h2-4,6-9,12,19,21H,5,10-11H2,1H3
InChIKeyZXQIBROJZVFLES-UHFFFAOYSA-N
XLogP4.40
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_B(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 2860261) is 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is Cc1cccc(C2C3=C(CCCC3=O)N=C3c4ccccc4C(=O)C32)c1.
What is the InChIKey of 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is ZXQIBROJZVFLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-13-6-4-7-14(12-13)19-20-17(10-5-11-18(20)25)24-22-15-8-2-3-9-16(15)23(26)21(19)22/h2-4,6-9,12,19,21H,5,10-11H2,1H3.
What are the key properties of 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 341.41 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2860261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).