8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H20FN3O — CID 139309545

IUPAC8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2nc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2c1
InChIInChI=1S/C22H20FN3O/c1-25-20-7-4-15(23)12-17(20)18-13-26(10-9-21(18)25)22-8-3-14-11-16(27-2)5-6-19(14)24-22/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyNDGFPHXICLDLPZ-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.44
Rot. Bonds2

About 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 139309545) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID139309545
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCOc1ccc2nc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2c1
InChIInChI=1S/C22H20FN3O/c1-25-20-7-4-15(23)12-17(20)18-13-26(10-9-21(18)25)22-8-3-14-11-16(27-2)5-6-19(14)24-22/h3-8,11-12H,9-10,13H2,1-2H3
InChIKeyNDGFPHXICLDLPZ-UHFFFAOYSA-N
XLogP4.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.44
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-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 139309545) is 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is COc1ccc2nc(N3CCc4c(c5cc(F)ccc5n4C)C3)ccc2c1.
What is the InChIKey of 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is NDGFPHXICLDLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-25-20-7-4-15(23)12-17(20)18-13-26(10-9-21(18)25)22-8-3-14-11-16(27-2)5-6-19(14)24-22/h3-8,11-12H,9-10,13H2,1-2H3.
What are the key properties of 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 361.42 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(6-methoxyquinolin-2-yl)-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 139309545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).