10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole

C25H25Cl2N3O — CID 142130711

IUPAC10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole
SMILESClc1ccc2c(c1Cl)c1c(n2CCOC2=CC=c3cccnc3=CC2)CCCNCC1
InChIInChI=1S/C25H25Cl2N3O/c26-20-8-10-23-24(25(20)27)19-11-14-28-12-2-4-22(19)30(23)15-16-31-18-6-5-17-3-1-13-29-21(17)9-7-18/h1,3,5-6,8-10,13,28H,2,4,7,11-12,14-16H2
InChIKeyYEMOPTSMJDVAEG-UHFFFAOYSA-N
MW454.40 g/mol
LogP3.99
Rot. Bonds4

About 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole

10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole (PubChem CID 142130711) has the molecular formula C25H25Cl2N3O and a molecular weight of 454.40 g/mol. Its IUPAC name is 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole.

Molecular Properties

Compound Name10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole
PubChem CID142130711
Molecular FormulaC25H25Cl2N3O
Molecular Weight454.40 g/mol
Exact Mass453.14
IUPAC Name10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole
SMILESClc1ccc2c(c1Cl)c1c(n2CCOC2=CC=c3cccnc3=CC2)CCCNCC1
InChIInChI=1S/C25H25Cl2N3O/c26-20-8-10-23-24(25(20)27)19-11-14-28-12-2-4-22(19)30(23)15-16-31-18-6-5-17-3-1-13-29-21(17)9-7-18/h1,3,5-6,8-10,13,28H,2,4,7,11-12,14-16H2
InChIKeyYEMOPTSMJDVAEG-UHFFFAOYSA-N
XLogP3.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole 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 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole?
The IUPAC name of 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole (CID 142130711) is 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole.
What is the SMILES notation for 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole?
The canonical SMILES for 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole is Clc1ccc2c(c1Cl)c1c(n2CCOC2=CC=c3cccnc3=CC2)CCCNCC1.
What is the InChIKey of 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole?
The InChIKey is YEMOPTSMJDVAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O/c26-20-8-10-23-24(25(20)27)19-11-14-28-12-2-4-22(19)30(23)15-16-31-18-6-5-17-3-1-13-29-21(17)9-7-18/h1,3,5-6,8-10,13,28H,2,4,7,11-12,14-16H2.
What are the key properties of 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole?
10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole has a molecular weight of 454.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,11-dichloro-7-[2-(8H-cyclohepta[b]pyridin-7-yloxy)ethyl]-1,2,3,4,5,6-hexahydroazocino[5,4-b]indole is sourced from PubChem (CID 142130711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).