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

C26H37N — CID 90758471

IUPAC8-[2-(1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1CC2C(C)C3CCCNC3CC2C1C(C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C26H37N/c1-16-14-21-17(2)19-10-7-13-27-24(19)15-22(21)25(16)26(3,4)23-12-11-18-8-5-6-9-20(18)23/h5-6,8-9,11-12,16-17,19,21-25,27H,7,10,13-15H2,1-4H3
InChIKeyGHQLMVSAFZGSKH-UHFFFAOYSA-N
MW363.59 g/mol
LogP6.12
Rot. Bonds2

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

8-[2-(1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (PubChem CID 90758471) has the molecular formula C26H37N and a molecular weight of 363.59 g/mol. Its IUPAC name is 8-[2-(1H-inden-1-yl)propan-2-yl]-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-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
PubChem CID90758471
Molecular FormulaC26H37N
Molecular Weight363.59 g/mol
Exact Mass363.29
IUPAC Name8-[2-(1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline
SMILESCC1CC2C(C)C3CCCNC3CC2C1C(C)(C)C1C=Cc2ccccc21
InChIInChI=1S/C26H37N/c1-16-14-21-17(2)19-10-7-13-27-24(19)15-22(21)25(16)26(3,4)23-12-11-18-8-5-6-9-20(18)23/h5-6,8-9,11-12,16-17,19,21-25,27H,7,10,13-15H2,1-4H3
InChIKeyGHQLMVSAFZGSKH-UHFFFAOYSA-N
XLogP6.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-[2-(1H-inden-1-yl)propan-2-yl]-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-1-yl)propan-2-yl]-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-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline (CID 90758471) is 8-[2-(1H-inden-1-yl)propan-2-yl]-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-1-yl)propan-2-yl]-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-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline is CC1CC2C(C)C3CCCNC3CC2C1C(C)(C)C1C=Cc2ccccc21.
What is the InChIKey of 8-[2-(1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
The InChIKey is GHQLMVSAFZGSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N/c1-16-14-21-17(2)19-10-7-13-27-24(19)15-22(21)25(16)26(3,4)23-12-11-18-8-5-6-9-20(18)23/h5-6,8-9,11-12,16-17,19,21-25,27H,7,10,13-15H2,1-4H3.
What are the key properties of 8-[2-(1H-inden-1-yl)propan-2-yl]-5,7-dimethyl-2,3,4,4a,5,5a,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[g]quinoline?
8-[2-(1H-inden-1-yl)propan-2-yl]-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 363.59 g/mol, XLogP of 6.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(1H-inden-1-yl)propan-2-yl]-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 90758471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).