7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline

C31H38N2 — CID 130349223

IUPAC7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline
SMILESC1=CC2NCC3C(C4=C(C=CCC4)N3C3=CC(C4CCC=C5CCCCC54)=CCC3)C2C=C1
InChIInChI=1S/C31H38N2/c1-2-13-24-21(9-1)10-8-16-25(24)22-11-7-12-23(19-22)33-29-18-6-4-15-27(29)31-26-14-3-5-17-28(26)32-20-30(31)33/h3,5-6,10-11,14,17-19,24-26,28,30-32H,1-2,4,7-9,12-13,15-16,20H2
InChIKeyVOSANPTZBXWFPE-UHFFFAOYSA-N
MW438.66 g/mol
LogP6.74
Rot. Bonds2

About 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline

7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline (PubChem CID 130349223) has the molecular formula C31H38N2 and a molecular weight of 438.66 g/mol. Its IUPAC name is 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline.

Molecular Properties

Compound Name7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline
PubChem CID130349223
Molecular FormulaC31H38N2
Molecular Weight438.66 g/mol
Exact Mass438.30
IUPAC Name7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline
SMILESC1=CC2NCC3C(C4=C(C=CCC4)N3C3=CC(C4CCC=C5CCCCC54)=CCC3)C2C=C1
InChIInChI=1S/C31H38N2/c1-2-13-24-21(9-1)10-8-16-25(24)22-11-7-12-23(19-22)33-29-18-6-4-15-27(29)31-26-14-3-5-17-28(26)32-20-30(31)33/h3,5-6,10-11,14,17-19,24-26,28,30-32H,1-2,4,7-9,12-13,15-16,20H2
InChIKeyVOSANPTZBXWFPE-UHFFFAOYSA-N
XLogP6.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.66
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]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 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline?
The IUPAC name of 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline (CID 130349223) is 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline.
What is the SMILES notation for 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline?
The canonical SMILES for 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline is C1=CC2NCC3C(C4=C(C=CCC4)N3C3=CC(C4CCC=C5CCCCC54)=CCC3)C2C=C1.
What is the InChIKey of 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline?
The InChIKey is VOSANPTZBXWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N2/c1-2-13-24-21(9-1)10-8-16-25(24)22-11-7-12-23(19-22)33-29-18-6-4-15-27(29)31-26-14-3-5-17-28(26)32-20-30(31)33/h3,5-6,10-11,14,17-19,24-26,28,30-32H,1-2,4,7-9,12-13,15-16,20H2.
What are the key properties of 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline?
7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline has a molecular weight of 438.66 g/mol, XLogP of 6.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-4a,5,6,6a,10,11,11b,11c-octahydroindolo[2,3-c]quinoline is sourced from PubChem (CID 130349223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).