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

C25H35N — CID 90855013

IUPAC8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1CC2C(C)C3CCCNC3CC2C1CCC1=Cc2ccccc2C1
InChIInChI=1S/C25H35N/c1-16-12-23-17(2)22-8-5-11-26-25(22)15-24(23)21(16)10-9-18-13-19-6-3-4-7-20(19)14-18/h3-4,6-7,13,16-17,21-26H,5,8-12,14-15H2,1-2H3
InChIKeyYTHWZFIFPWLADH-UHFFFAOYSA-N
MW349.56 g/mol
LogP5.70
Rot. Bonds3

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

8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (PubChem CID 90855013) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.

Molecular Properties

Compound Name8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
PubChem CID90855013
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1CC2C(C)C3CCCNC3CC2C1CCC1=Cc2ccccc2C1
InChIInChI=1S/C25H35N/c1-16-12-23-17(2)22-8-5-11-26-25(22)15-24(23)21(16)10-9-18-13-19-6-3-4-7-20(19)14-18/h3-4,6-7,13,16-17,21-26H,5,8-12,14-15H2,1-2H3
InChIKeyYTHWZFIFPWLADH-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The IUPAC name of 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (CID 90855013) is 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline.
What is the SMILES notation for 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The canonical SMILES for 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is CC1CC2C(C)C3CCCNC3CC2C1CCC1=Cc2ccccc2C1.
What is the InChIKey of 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The InChIKey is YTHWZFIFPWLADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-16-12-23-17(2)22-8-5-11-26-25(22)15-24(23)21(16)10-9-18-13-19-6-3-4-7-20(19)14-18/h3-4,6-7,13,16-17,21-26H,5,8-12,14-15H2,1-2H3.
What are the key properties of 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline has a molecular weight of 349.56 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1H-inden-2-yl)ethyl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is sourced from PubChem (CID 90855013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).