4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile

C27H20N2 — CID 17243637

IUPAC4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)C1C=CCC1C(c1c3ccccc3cc3ccccc13)N2
InChIInChI=1S/C27H20N2/c28-16-17-12-13-25-24(14-17)22-10-5-11-23(22)27(29-25)26-20-8-3-1-6-18(20)15-19-7-2-4-9-21(19)26/h1-10,12-15,22-23,27,29H,11H2
InChIKeyIHMOOYIUKUSJPY-UHFFFAOYSA-N
MW372.47 g/mol
LogP6.69
Rot. Bonds1

About 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile

4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile (PubChem CID 17243637) has the molecular formula C27H20N2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
PubChem CID17243637
Molecular FormulaC27H20N2
Molecular Weight372.47 g/mol
Exact Mass372.16
IUPAC Name4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2c(c1)C1C=CCC1C(c1c3ccccc3cc3ccccc13)N2
InChIInChI=1S/C27H20N2/c28-16-17-12-13-25-24(14-17)22-10-5-11-23(22)27(29-25)26-20-8-3-1-6-18(20)15-19-7-2-4-9-21(19)26/h1-10,12-15,22-23,27,29H,11H2
InChIKeyIHMOOYIUKUSJPY-UHFFFAOYSA-N
XLogP6.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile 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

4-(2-methylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17241688
4-(2,4,6-trimethylphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17237885
4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17243636
4-(2,4-dihydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17236721
4-anthracen-9-yl-N-methyl-N-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17243771
(3aS,4R,9bR)-4-anthracen-9-yl-7,9-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 124678095
4-anthracen-9-yl-8-(2,3-dihydroindol-1-ylsulfonyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 17243661
4-(3-hydroxy-4-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile
CID 17237716
(3aS,4R,9bR)-8-methyl-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 26095596
(3aR,4R,9bR)-8-chloro-4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7250520
4-[(3aS,4R,9bS)-8-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzonitrile
CID 7305157
4-(2-hydroxynaphthalen-1-yl)-N,N-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxamide
CID 17243439

Frequently Asked Questions

What is the IUPAC name of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
The IUPAC name of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile (CID 17243637) is 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile.
What is the SMILES notation for 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
The canonical SMILES for 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile is N#Cc1ccc2c(c1)C1C=CCC1C(c1c3ccccc3cc3ccccc13)N2.
What is the InChIKey of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
The InChIKey is IHMOOYIUKUSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2/c28-16-17-12-13-25-24(14-17)22-10-5-11-23(22)27(29-25)26-20-8-3-1-6-18(20)15-19-7-2-4-9-21(19)26/h1-10,12-15,22-23,27,29H,11H2.
What are the key properties of 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile?
4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile has a molecular weight of 372.47 g/mol, XLogP of 6.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anthracen-9-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carbonitrile is sourced from PubChem (CID 17243637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).