4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

C19H18BrN — CID 3318033

IUPAC4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1ccc2c(c1)C1C=CCC1C(c1ccccc1Br)N2
InChIInChI=1S/C19H18BrN/c1-12-9-10-18-16(11-12)13-6-4-7-14(13)19(21-18)15-5-2-3-8-17(15)20/h2-6,8-11,13-14,19,21H,7H2,1H3
InChIKeyCSENCKNYCFJEOY-UHFFFAOYSA-N
MW340.26 g/mol
LogP5.58
Rot. Bonds1

About 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (PubChem CID 3318033) has the molecular formula C19H18BrN and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
PubChem CID3318033
Molecular FormulaC19H18BrN
Molecular Weight340.26 g/mol
Exact Mass339.06
IUPAC Name4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
SMILESCc1ccc2c(c1)C1C=CCC1C(c1ccccc1Br)N2
InChIInChI=1S/C19H18BrN/c1-12-9-10-18-16(11-12)13-6-4-7-14(13)19(21-18)15-5-2-3-8-17(15)20/h2-6,8-11,13-14,19,21H,7H2,1H3
InChIKeyCSENCKNYCFJEOY-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[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 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The IUPAC name of 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline (CID 3318033) is 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline.
What is the SMILES notation for 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The canonical SMILES for 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is Cc1ccc2c(c1)C1C=CCC1C(c1ccccc1Br)N2.
What is the InChIKey of 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
The InChIKey is CSENCKNYCFJEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN/c1-12-9-10-18-16(11-12)13-6-4-7-14(13)19(21-18)15-5-2-3-8-17(15)20/h2-6,8-11,13-14,19,21H,7H2,1H3.
What are the key properties of 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline?
4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline has a molecular weight of 340.26 g/mol, XLogP of 5.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-8-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline is sourced from PubChem (CID 3318033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).