5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline

C26H37N — CID 90793794

IUPAC5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1=Cc2ccccc2C1CCC1C(C)CC2C(C)C3CCCNC3CC12
InChIInChI=1S/C26H37N/c1-16-13-19-7-4-5-8-23(19)20(16)10-11-21-17(2)14-24-18(3)22-9-6-12-27-26(22)15-25(21)24/h4-5,7-8,13,17-18,20-22,24-27H,6,9-12,14-15H2,1-3H3
InChIKeyKCOJBUJJIJAJCW-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.26
Rot. Bonds3

About 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline

5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (PubChem CID 90793794) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.

Molecular Properties

Compound Name5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
PubChem CID90793794
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1=Cc2ccccc2C1CCC1C(C)CC2C(C)C3CCCNC3CC12
InChIInChI=1S/C26H37N/c1-16-13-19-7-4-5-8-23(19)20(16)10-11-21-17(2)14-24-18(3)22-9-6-12-27-26(22)15-25(21)24/h4-5,7-8,13,17-18,20-22,24-27H,6,9-12,14-15H2,1-3H3
InChIKeyKCOJBUJJIJAJCW-UHFFFAOYSA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline 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 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The IUPAC name of 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (CID 90793794) is 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.
What is the SMILES notation for 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The canonical SMILES for 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is CC1=Cc2ccccc2C1CCC1C(C)CC2C(C)C3CCCNC3CC12.
What is the InChIKey of 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The InChIKey is KCOJBUJJIJAJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N/c1-16-13-19-7-4-5-8-23(19)20(16)10-11-21-17(2)14-24-18(3)22-9-6-12-27-26(22)15-25(21)24/h4-5,7-8,13,17-18,20-22,24-27H,6,9-12,14-15H2,1-3H3.
What are the key properties of 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline has a molecular weight of 363.59 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-8-[2-(2-methyl-1H-inden-1-yl)ethyl]-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is sourced from PubChem (CID 90793794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).