cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone

C19H23FN2O — CID 71205730

IUPACcyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
SMILESCn1c2c(c3cc(F)ccc31)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C19H23FN2O/c1-21-17-8-7-14(20)11-15(17)16-12-22(10-9-18(16)21)19(23)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3
InChIKeyCUNBGZRJIZLKKZ-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.78
Rot. Bonds1

About cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone

cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone (PubChem CID 71205730) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
PubChem CID71205730
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Namecyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone
SMILESCn1c2c(c3cc(F)ccc31)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C19H23FN2O/c1-21-17-8-7-14(20)11-15(17)16-12-22(10-9-18(16)21)19(23)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3
InChIKeyCUNBGZRJIZLKKZ-UHFFFAOYSA-N
XLogP3.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone (CID 71205730) is cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone is Cn1c2c(c3cc(F)ccc31)CN(C(=O)C1CCCCC1)CC2.
What is the InChIKey of cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is CUNBGZRJIZLKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-21-17-8-7-14(20)11-15(17)16-12-22(10-9-18(16)21)19(23)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3.
What are the key properties of cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone?
cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 314.40 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 71205730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).