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

C23H19NO2 — CID 619606

IUPAC10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCc1ccccc1C1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)C21
InChIInChI=1S/C23H19NO2/c1-13-7-2-3-8-14(13)19-20-17(11-6-12-18(20)25)24-22-15-9-4-5-10-16(15)23(26)21(19)22/h2-5,7-10,19,21H,6,11-12H2,1H3
InChIKeyNFVIYIMDCUFFDP-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.40
Rot. Bonds1

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

10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 619606) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID619606
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCc1ccccc1C1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)C21
InChIInChI=1S/C23H19NO2/c1-13-7-2-3-8-14(13)19-20-17(11-6-12-18(20)25)24-22-15-9-4-5-10-16(15)23(26)21(19)22/h2-5,7-10,19,21H,6,11-12H2,1H3
InChIKeyNFVIYIMDCUFFDP-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-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 619606) is 10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is Cc1ccccc1C1C2=C(CCCC2=O)N=C2c3ccccc3C(=O)C21.
What is the InChIKey of 10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is NFVIYIMDCUFFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-13-7-2-3-8-14(13)19-20-17(11-6-12-18(20)25)24-22-15-9-4-5-10-16(15)23(26)21(19)22/h2-5,7-10,19,21H,6,11-12H2,1H3.
What are the key properties of 10-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
10-(2-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-(2-methylphenyl)-7,8,10,10a-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 619606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).