15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

C21H20Cl2N2 — CID 15149409

IUPAC15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESClc1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1Cl
InChIInChI=1S/C21H20Cl2N2/c22-16-7-5-13(11-17(16)23)9-10-25-14-6-8-20(25)21-15-3-1-2-4-18(15)24-19(21)12-14/h1-5,7,11,14,20,24H,6,8-10,12H2
InChIKeyKQHWFSJEUGZFOE-UHFFFAOYSA-N
MW371.31 g/mol
LogP5.78
Rot. Bonds3

About 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (PubChem CID 15149409) has the molecular formula C21H20Cl2N2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
PubChem CID15149409
Molecular FormulaC21H20Cl2N2
Molecular Weight371.31 g/mol
Exact Mass370.10
IUPAC Name15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene
SMILESClc1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1Cl
InChIInChI=1S/C21H20Cl2N2/c22-16-7-5-13(11-17(16)23)9-10-25-14-6-8-20(25)21-15-3-1-2-4-18(15)24-19(21)12-14/h1-5,7,11,14,20,24H,6,8-10,12H2
InChIKeyKQHWFSJEUGZFOE-UHFFFAOYSA-N
XLogP5.78
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.31
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene 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 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The IUPAC name of 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene (CID 15149409) is 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is Clc1ccc(CCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1Cl.
What is the InChIKey of 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
The InChIKey is KQHWFSJEUGZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2/c22-16-7-5-13(11-17(16)23)9-10-25-14-6-8-20(25)21-15-3-1-2-4-18(15)24-19(21)12-14/h1-5,7,11,14,20,24H,6,8-10,12H2.
What are the key properties of 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene?
15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene has a molecular weight of 371.31 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-(3,4-dichlorophenyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 15149409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).