1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone

C21H23NO — CID 57305498

IUPAC1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C=C1CC3=NC(C)(C)C=C(C)C3CC12
InChIInChI=1S/C21H23NO/c1-12-11-21(3,4)22-20-9-16-8-15-7-14(13(2)23)5-6-17(15)19(16)10-18(12)20/h5-8,11,18-19H,9-10H2,1-4H3
InChIKeyFWUKWGTYTFHRRH-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.96
Rot. Bonds1

About 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone

1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone (PubChem CID 57305498) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone
PubChem CID57305498
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C=C1CC3=NC(C)(C)C=C(C)C3CC12
InChIInChI=1S/C21H23NO/c1-12-11-21(3,4)22-20-9-16-8-15-7-14(13(2)23)5-6-17(15)19(16)10-18(12)20/h5-8,11,18-19H,9-10H2,1-4H3
InChIKeyFWUKWGTYTFHRRH-UHFFFAOYSA-N
XLogP4.96
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

(3,3-Dimethyl-3,4-dihydroisoquinolin-1-yl)(phenyl)methanone
CID 720205
2',5',5'-Trimethyl-4',5'-dihydro-4h-spiro[naphthalene-1,3'-pyrrol]-4-one
CID 3964479
2-Diazo-1-(4-methylphenyl)-3-(2,4,6-trimethylphenyl)propane-1,3-dione
CID 101594243
2-(6-fluoro-3,3-dimethyl-4H-isoquinolin-1-yl)-1-phenylpropan-1-one
CID 22290558
8-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56989253
7,9-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 56993600
6-fluoro-2,2,4-trimethyl-10a,11-dihydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57124811
6-fluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57138398
5,8-difluoro-2,2,4-trimethyl-5,5a,10a,11-tetrahydro-4aH-indeno[1,2-g]quinolin-10-one
CID 57242231
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 91323868
2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 91410557
US20240287022, Example 75
CID 172637266

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone?
The IUPAC name of 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone (CID 57305498) is 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone.
What is the SMILES notation for 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone?
The canonical SMILES for 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone is CC(=O)c1ccc2c(c1)C=C1CC3=NC(C)(C)C=C(C)C3CC12.
What is the InChIKey of 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone?
The InChIKey is FWUKWGTYTFHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-12-11-21(3,4)22-20-9-16-8-15-7-14(13(2)23)5-6-17(15)19(16)10-18(12)20/h5-8,11,18-19H,9-10H2,1-4H3.
What are the key properties of 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone?
1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone has a molecular weight of 305.42 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4-trimethyl-4a,5,5a,11-tetrahydroindeno[1,2-g]quinolin-8-yl)ethanone is sourced from PubChem (CID 57305498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).