8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C20H23N3O — CID 54581997

IUPAC8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCc2ccncc2)CCN(C)C1
InChIInChI=1S/C20H23N3O/c1-22-11-8-20-18(14-22)17-13-16(24-2)3-4-19(17)23(20)12-7-15-5-9-21-10-6-15/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3
InChIKeyZNPXEYURFNQPAK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.28
Rot. Bonds4

About 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 54581997) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID54581997
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCc2ccncc2)CCN(C)C1
InChIInChI=1S/C20H23N3O/c1-22-11-8-20-18(14-22)17-13-16(24-2)3-4-19(17)23(20)12-7-15-5-9-21-10-6-15/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3
InChIKeyZNPXEYURFNQPAK-UHFFFAOYSA-N
XLogP3.28
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 54581997) is 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc2c(c1)c1c(n2CCc2ccncc2)CCN(C)C1.
What is the InChIKey of 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is ZNPXEYURFNQPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22-11-8-20-18(14-22)17-13-16(24-2)3-4-19(17)23(20)12-7-15-5-9-21-10-6-15/h3-6,9-10,13H,7-8,11-12,14H2,1-2H3.
What are the key properties of 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 321.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 54581997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).