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

C20H23N3O — CID 142758890

IUPAC8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCc2ccncc2)CC(C)NC1
InChIInChI=1S/C20H23N3O/c1-14-11-20-18(13-22-14)17-12-16(24-2)3-4-19(17)23(20)10-7-15-5-8-21-9-6-15/h3-6,8-9,12,14,22H,7,10-11,13H2,1-2H3
InChIKeyWPCVBVPZTNWFST-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.32
Rot. Bonds4

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

8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (PubChem CID 142758890) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
PubChem CID142758890
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
SMILESCOc1ccc2c(c1)c1c(n2CCc2ccncc2)CC(C)NC1
InChIInChI=1S/C20H23N3O/c1-14-11-20-18(13-22-14)17-12-16(24-2)3-4-19(17)23(20)10-7-15-5-8-21-9-6-15/h3-6,8-9,12,14,22H,7,10-11,13H2,1-2H3
InChIKeyWPCVBVPZTNWFST-UHFFFAOYSA-N
XLogP3.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
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-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The IUPAC name of 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole (CID 142758890) is 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is COc1ccc2c(c1)c1c(n2CCc2ccncc2)CC(C)NC1.
What is the InChIKey of 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
The InChIKey is WPCVBVPZTNWFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-11-20-18(13-22-14)17-12-16(24-2)3-4-19(17)23(20)10-7-15-5-8-21-9-6-15/h3-6,8-9,12,14,22H,7,10-11,13H2,1-2H3.
What are the key properties of 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole?
8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole has a molecular weight of 321.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-5-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 142758890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).