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

C25H23NO2 — CID 2852023

IUPAC7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCc1cccc(C2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)c1
InChIInChI=1S/C25H23NO2/c1-14-7-6-8-15(11-14)20-21-18(12-25(2,3)13-19(21)27)26-23-16-9-4-5-10-17(16)24(28)22(20)23/h4-11,20,22H,12-13H2,1-3H3
InChIKeyJMGYMTPWXNAQKQ-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.04
Rot. Bonds1

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

7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 2852023) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID2852023
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCc1cccc(C2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)c1
InChIInChI=1S/C25H23NO2/c1-14-7-6-8-15(11-14)20-21-18(12-25(2,3)13-19(21)27)26-23-16-9-4-5-10-17(16)24(28)22(20)23/h4-11,20,22H,12-13H2,1-3H3
InChIKeyJMGYMTPWXNAQKQ-UHFFFAOYSA-N
XLogP5.04
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.04
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 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 2852023) is 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione is Cc1cccc(C2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)c1.
What is the InChIKey of 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is JMGYMTPWXNAQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-14-7-6-8-15(11-14)20-21-18(12-25(2,3)13-19(21)27)26-23-16-9-4-5-10-17(16)24(28)22(20)23/h4-11,20,22H,12-13H2,1-3H3.
What are the key properties of 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 369.46 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-10-(3-methylphenyl)-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 2852023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).