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

C18H21FN2O — CID 2802375

IUPACcyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C18H21FN2O/c19-13-6-7-16-14(10-13)15-11-21(9-8-17(15)20-16)18(22)12-4-2-1-3-5-12/h6-7,10,12,20H,1-5,8-9,11H2
InChIKeyYHRBLBBUSHXYDL-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.77
Rot. Bonds1

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

cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 2802375) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID2802375
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Namecyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESO=C(C1CCCCC1)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C18H21FN2O/c19-13-6-7-16-14(10-13)15-11-21(9-8-17(15)20-16)18(22)12-4-2-1-3-5-12/h6-7,10,12,20H,1-5,8-9,11H2
InChIKeyYHRBLBBUSHXYDL-UHFFFAOYSA-N
XLogP3.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.77
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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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 2802375) is cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is O=C(C1CCCCC1)N1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is YHRBLBBUSHXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c19-13-6-7-16-14(10-13)15-11-21(9-8-17(15)20-16)18(22)12-4-2-1-3-5-12/h6-7,10,12,20H,1-5,8-9,11H2.
What are the key properties of cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 300.38 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 2802375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).