10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C25H23NO3 — CID 3117967

IUPAC10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)cc1
InChIInChI=1S/C25H23NO3/c1-25(2)12-18-21(19(27)13-25)20(14-8-10-15(29-3)11-9-14)22-23(26-18)16-6-4-5-7-17(16)24(22)28/h4-11,20,22H,12-13H2,1-3H3
InChIKeyYEGHCVNCILBLKS-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.74
Rot. Bonds2

About 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione

10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 3117967) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID3117967
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)cc1
InChIInChI=1S/C25H23NO3/c1-25(2)12-18-21(19(27)13-25)20(14-8-10-15(29-3)11-9-14)22-23(26-18)16-6-4-5-7-17(16)24(22)28/h4-11,20,22H,12-13H2,1-3H3
InChIKeyYEGHCVNCILBLKS-UHFFFAOYSA-N
XLogP4.74
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 3117967) is 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione is COc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3c4ccccc4C(=O)C32)cc1.
What is the InChIKey of 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is YEGHCVNCILBLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3/c1-25(2)12-18-21(19(27)13-25)20(14-8-10-15(29-3)11-9-14)22-23(26-18)16-6-4-5-7-17(16)24(22)28/h4-11,20,22H,12-13H2,1-3H3.
What are the key properties of 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 385.46 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methoxyphenyl)-7,7-dimethyl-6,8,10,10a-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 3117967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).