8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole

C19H20ClN3 — CID 123644290

IUPAC8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc(CCn2c3c(c4cc(Cl)ccc42)CNCC3)cn1
InChIInChI=1S/C19H20ClN3/c1-13-2-3-14(11-22-13)7-9-23-18-5-4-15(20)10-16(18)17-12-21-8-6-19(17)23/h2-5,10-11,21H,6-9,12H2,1H3
InChIKeyMOYBMYBFAOFLMC-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.89
Rot. Bonds3

About 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole

8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 123644290) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID123644290
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCc1ccc(CCn2c3c(c4cc(Cl)ccc42)CNCC3)cn1
InChIInChI=1S/C19H20ClN3/c1-13-2-3-14(11-22-13)7-9-23-18-5-4-15(20)10-16(18)17-12-21-8-6-19(17)23/h2-5,10-11,21H,6-9,12H2,1H3
InChIKeyMOYBMYBFAOFLMC-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 123644290) is 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole is Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CNCC3)cn1.
What is the InChIKey of 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is MOYBMYBFAOFLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-13-2-3-14(11-22-13)7-9-23-18-5-4-15(20)10-16(18)17-12-21-8-6-19(17)23/h2-5,10-11,21H,6-9,12H2,1H3.
What are the key properties of 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 325.84 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 123644290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).