(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone

C18H14BrFN2O — CID 32854805

IUPAC(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C18H14BrFN2O/c19-11-5-6-16-13(9-11)14-10-22(8-7-17(14)21-16)18(23)12-3-1-2-4-15(12)20/h1-6,9,21H,7-8,10H2
InChIKeyQMVRMTUIHJNCCQ-UHFFFAOYSA-N
MW373.23 g/mol
LogP4.27
Rot. Bonds1

About (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone

(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone (PubChem CID 32854805) has the molecular formula C18H14BrFN2O and a molecular weight of 373.23 g/mol. Its IUPAC name is (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone
PubChem CID32854805
Molecular FormulaC18H14BrFN2O
Molecular Weight373.23 g/mol
Exact Mass372.03
IUPAC Name(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCc2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C18H14BrFN2O/c19-11-5-6-16-13(9-11)14-10-22(8-7-17(14)21-16)18(23)12-3-1-2-4-15(12)20/h1-6,9,21H,7-8,10H2
InChIKeyQMVRMTUIHJNCCQ-UHFFFAOYSA-N
XLogP4.27
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
CID 32836266
(4-bromophenyl)-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 32849584
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-(3,4,5-trifluorophenyl)methanone
CID 141122656
1-(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-(3-fluorophenyl)propan-1-one
CID 32856310
methyl 2-(5-bromo-2-hydroxybenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate
CID 32757429
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-(2,4,6-trifluorophenyl)methanone
CID 141122655
8-(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-8-oxooctanoic acid
CID 175679371
2-(4-benzylpiperazin-1-yl)-1-(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 30863873
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(5-nitrofuran-2-yl)methanone
CID 33189898
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(3-chloro-4,5-dimethoxyphenyl)methanone
CID 30858360
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43060963
(5-bromo-1-benzofuran-2-yl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46480683

Frequently Asked Questions

What is the IUPAC name of (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone (CID 32854805) is (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCc2[nH]c3ccc(Br)cc3c2C1.
What is the InChIKey of (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is QMVRMTUIHJNCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrFN2O/c19-11-5-6-16-13(9-11)14-10-22(8-7-17(14)21-16)18(23)12-3-1-2-4-15(12)20/h1-6,9,21H,7-8,10H2.
What are the key properties of (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone?
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 373.23 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 32854805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).