5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

C19H20ClFN2O — CID 45262718

IUPAC5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCOc1ccc2c(c1)c1c(n2-c2ccc(F)cc2)CCN(C)C1.Cl
InChIInChI=1S/C19H19FN2O.ClH/c1-21-10-9-19-17(12-21)16-11-15(23-2)7-8-18(16)22(19)14-5-3-13(20)4-6-14;/h3-8,11H,9-10,12H2,1-2H3;1H
InChIKeyYZVLNPIVIMZATP-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.19
Rot. Bonds2

About 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 45262718) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID45262718
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCOc1ccc2c(c1)c1c(n2-c2ccc(F)cc2)CCN(C)C1.Cl
InChIInChI=1S/C19H19FN2O.ClH/c1-21-10-9-19-17(12-21)16-11-15(23-2)7-8-18(16)22(19)14-5-3-13(20)4-6-14;/h3-8,11H,9-10,12H2,1-2H3;1H
InChIKeyYZVLNPIVIMZATP-UHFFFAOYSA-N
XLogP4.19
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 45262718) is 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is COc1ccc2c(c1)c1c(n2-c2ccc(F)cc2)CCN(C)C1.Cl.
What is the InChIKey of 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is YZVLNPIVIMZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O.ClH/c1-21-10-9-19-17(12-21)16-11-15(23-2)7-8-18(16)22(19)14-5-3-13(20)4-6-14;/h3-8,11H,9-10,12H2,1-2H3;1H.
What are the key properties of 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 45262718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).