9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole

C24H19N3O — CID 141472183

IUPAC9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESc1ccc(OCCn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1
InChIInChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-17-16-27-22-12-5-4-10-19(22)20-13-15-26-23(24(20)27)21-11-6-7-14-25-21/h1-15H,16-17H2
InChIKeyCPMRZYYDMSAXSW-UHFFFAOYSA-N
MW365.44 g/mol
LogP5.33
Rot. Bonds5

About 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole

9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole (PubChem CID 141472183) has the molecular formula C24H19N3O and a molecular weight of 365.44 g/mol. Its IUPAC name is 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole.

Molecular Properties

Compound Name9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
PubChem CID141472183
Molecular FormulaC24H19N3O
Molecular Weight365.44 g/mol
Exact Mass365.15
IUPAC Name9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole
SMILESc1ccc(OCCn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1
InChIInChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-17-16-27-22-12-5-4-10-19(22)20-13-15-26-23(24(20)27)21-11-6-7-14-25-21/h1-15H,16-17H2
InChIKeyCPMRZYYDMSAXSW-UHFFFAOYSA-N
XLogP5.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The IUPAC name of 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole (CID 141472183) is 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole.
What is the SMILES notation for 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The canonical SMILES for 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole is c1ccc(OCCn2c3ccccc3c3ccnc(-c4ccccn4)c32)cc1.
What is the InChIKey of 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
The InChIKey is CPMRZYYDMSAXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O/c1-2-8-18(9-3-1)28-17-16-27-22-12-5-4-10-19(22)20-13-15-26-23(24(20)27)21-11-6-7-14-25-21/h1-15H,16-17H2.
What are the key properties of 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole?
9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole has a molecular weight of 365.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenoxyethyl)-1-pyridin-2-ylpyrido[3,4-b]indole is sourced from PubChem (CID 141472183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).